 input data

 gf        KRAFTFELD TEST RECHNUNG                                               
 dim         30.00000                                                            
 bmat        12.00000   0.00000   1.00000                                        
    C-10.766751  4.065396  0.012672  6.000000                                    
    C-10.976315  1.514037 -0.016229  6.000000                                    
    C -8.410947  0.400438 -0.016264  6.000000                                    
    C -6.690236  2.295828  0.012621  6.000000                                    
    C -8.058740  4.723505  0.033194  6.000000                                    
    C -7.043770  7.061669  0.064821  6.000000                                    
    H-12.274908  5.419176  0.020699  1.000000                                    
    H-12.697759  0.443432 -0.036496  1.000000                                    
    H -8.017491 -1.588220 -0.036567  1.000000                                    
    H -4.671366  2.118570  0.020608  1.000000                                    
    H -8.209626  8.725333  0.077975  1.000000                                    
    H -5.032275  7.346076  0.077934  1.000000                                    
 k                   stre   1    2.        1.                                    
 k                   stre   2    3.        2.                                    
 k                   stre   3    4.        3.                                    
 k                   stre   4    5.        1.                                    
 k                   stre   5    5.        4.                                    
 k                   stre   6    6.        5.                                    
 k                   stre   7    7.        1.                                    
 k                   stre   8    8.        2.                                    
 k                   stre   9    9.        3.                                    
 k                   stre  10   10.        4.                                    
 k                   stre  11   11.        6.                                    
 k                   stre  12   12.        6.                                    
 k          1.0000000bend  13     4.        1.        5.                         
           -0.8090170bend         5.        2.        1.                         
            0.3090170bend         1.        3.        2.                         
            0.3090170bend         2.        4.        3.                         
           -0.8090170bend         3.        5.        4.                         
 k          0.5877853bend  14     5.        2.        1.                         
           -0.9510565bend         1.        3.        2.                         
            0.9510565bend         2.        4.        3.                         
           -0.5877853bend         3.        5.        4.                         
 k          1.0000000tors  15     1.        2.        3.        4.               
           -0.8090170tors         2.        3.        4.        5.               
            0.3090170tors         3.        4.        5.        1.               
            0.3090170tors         4.        5.        1.        2.               
           -0.8090170tors         5.        1.        2.        3.               
 k          0.5877853tors  16     2.        3.        4.        5.               
           -0.9510565tors         3.        4.        5.        1.               
            0.9510565tors         4.        5.        1.        2.               
           -0.5877853tors         5.        1.        2.        3.               
 k            1.     bend  17     2.        7.        1.                         
             -1.     bend         5.        7.        1.                         
 k            1.     out   18     7.        2.        5.        1.               
 k            1.     bend  19     1.        8.        2.                         
             -1.     bend         3.        8.        2.                         
 k            1.     out   20     8.        1.        3.        2.               
 k            1.     bend  21     2.        9.        3.                         
             -1.     bend         4.        9.        3.                         
 k            1.     out   22     9.        2.        4.        3.               
 k            1.     bend  23     3.       10.        4.                         
             -1.     bend         5.       10.        4.                         
 k            1.     out   24    10.        3.        5.        4.               
 k            1.     bend  25     4.        6.        5.                         
             -1.     bend         1.        6.        5.                         
 k            1.     out   26     6.        4.        1.        5.               
 k            2.     bend  27    11.       12.        6.                         
             -1.     bend         5.       11.        6.                         
             -1.     bend         5.       12.        6.                         
 k            1.     bend  28     5.       11.        6.                         
             -1.     bend         5.       12.        6.                         
 k            1.     out   29     5.       11.       12.        6.               
 k0.5000000   1.     tors  30    11.        6.        5.        1.               
              1.     tors        12.        6.        5.        1.               
              1.     tors        11.        6.        5.        4.               
              1.     tors        12.        6.        5.        4.               
 gmat      calc                                                                  
 fmat                                                                            
    9.01899                                                                      
    0.40741   5.36621                                                            
    0.00502   0.40751   9.01904                                                  
    0.40108   0.02160  -0.06952   5.36299                                        
   -0.06934   0.02153   0.40092   0.31513   5.36315                              
   -0.07169  -0.10974  -0.07182   0.39005   0.39005   9.38786                    
    0.09869  -0.00493  -0.04691   0.06917   0.00334   0.01463   6.34600          
    0.10282   0.07456   0.01056   0.00128  -0.04628   0.00832   0.01227   6.33835
    0.01045   0.07468   0.10265  -0.04629   0.00114   0.00827   0.00245   0.01296
    6.33842                                                                      
   -0.04691  -0.00480   0.09870   0.00346   0.06931   0.01451   0.00270   0.00241
    0.01221   6.34616                                                            
    0.00769  -0.00162   0.00039   0.01275  -0.00867   0.09387   0.00752   0.00104
    0.00158   0.00086   6.24596                                                  
    0.00050  -0.00158   0.00782  -0.00872   0.01271   0.09413   0.00094   0.00141
    0.00117   0.00748   0.04561   6.24599                                        
   -0.29757   0.47103  -0.29752   0.08793   0.08790  -0.28206   0.12003  -0.05960
   -0.05953   0.12010  -0.01468  -0.01467   1.85411                              
   -0.15578   0.00008   0.15579   0.26416  -0.26415  -0.00006  -0.09494   0.14194
   -0.14196   0.09493  -0.00951   0.00951  -0.00001   1.72355                    
    0.00014  -0.00003  -0.00012  -0.00018   0.00005  -0.00007   0.00002  -0.00006
    0.00006  -0.00002   0.00003  -0.00000   0.00008   0.00001   0.47834          
   -0.00000  -0.00009   0.00003  -0.00007  -0.00008   0.00008  -0.00000   0.00000
    0.00001   0.00001   0.00000  -0.00001  -0.00003  -0.00001   0.00000   0.40665
    0.12286  -0.01528  -0.00184  -0.11062   0.01493   0.01181   0.00194  -0.00266
    0.00627  -0.00627  -0.01001   0.00205  -0.04738  -0.05935  -0.00000   0.00001
    0.52666                                                                      
   -0.00020   0.00003   0.00001  -0.00003  -0.00006   0.00001  -0.00005  -0.00001
   -0.00000  -0.00000  -0.00000   0.00000  -0.00007   0.00006  -0.16143  -0.17062
    0.00001   0.38769                                                            
    0.12230  -0.11569   0.00708  -0.01491   0.00093   0.00829  -0.00310   0.00357
   -0.00321  -0.00743  -0.00038   0.00404  -0.07719  -0.02577  -0.00001  -0.00001
   -0.01260   0.00000   0.53943                                                  
   -0.00018  -0.00005   0.00002  -0.00002  -0.00002  -0.00002   0.00000  -0.00004
    0.00001  -0.00001   0.00001  -0.00001   0.00003  -0.00006  -0.18028  -0.09875
    0.00000   0.09456   0.00001   0.41312                                        
   -0.00695   0.11556  -0.12242  -0.00077   0.01499  -0.00844   0.00745   0.00325
   -0.00366   0.00302  -0.00406   0.00039   0.07711  -0.02577  -0.00001   0.00001
    0.01493  -0.00001   0.01220   0.00001   0.53950                              
    0.00004  -0.00005  -0.00016  -0.00002  -0.00000  -0.00002  -0.00001   0.00001
   -0.00006   0.00000  -0.00000   0.00000   0.00004   0.00005   0.18028  -0.09875
   -0.00001  -0.02091  -0.00000  -0.00925  -0.00001   0.41312                    
   -0.00187  -0.01532   0.12312   0.01497  -0.11060   0.01170  -0.00626   0.00621
   -0.00262   0.00192   0.00206  -0.01001  -0.04734   0.05936   0.00000   0.00001
    0.01479   0.00000  -0.01492  -0.00000   0.01261  -0.00000   0.52672          
    0.00018   0.00015   0.00001   0.00004  -0.00019   0.00041   0.00004   0.00004
    0.00004   0.00006   0.00003   0.00001  -0.00004  -0.00000  -0.16143   0.17062
   -0.00001  -0.03487   0.00002   0.02091   0.00000  -0.09456  -0.00003   0.38769
    0.04762   0.00009  -0.04763  -0.19137   0.19126  -0.00008   0.00509  -0.00673
    0.00677  -0.00512   0.05274  -0.05271  -0.00001  -0.12641   0.00016  -0.00000
   -0.01815  -0.00000  -0.02050   0.00001  -0.02051  -0.00002   0.01817  -0.00004
    0.73288                                                                      
   -0.00014   0.00009   0.00020   0.00019   0.00007   0.00009  -0.00005  -0.00008
    0.00012   0.00006   0.00001  -0.00001  -0.00002  -0.00005   0.00000  -0.02711
   -0.00001   0.01946   0.00001  -0.02371  -0.00002  -0.02372  -0.00003  -0.01946
   -0.00001   0.40695                                                            
   -0.00198   0.00845  -0.00193  -0.01498  -0.01479  -0.20896  -0.00636  -0.00167
   -0.00157  -0.00624   0.06628   0.06628   0.02978   0.00002   0.00000  -0.00000
    0.00308   0.00000  -0.00199   0.00001   0.00196   0.00000   0.00309  -0.00001
    0.00004  -0.00001   0.54758                                                  
   -0.00093   0.00007   0.00101  -0.03949   0.03948   0.00014   0.00280  -0.00249
    0.00249  -0.00282   0.09982  -0.09982  -0.00004  -0.02269  -0.00003   0.00000
    0.00050   0.00001  -0.00519   0.00001  -0.00517   0.00000  -0.00049  -0.00002
    0.11306  -0.00003  -0.00000   0.62039                                        
   -0.00001  -0.00000   0.00001  -0.00000  -0.00001  -0.00002  -0.00000  -0.00001
   -0.00001   0.00000   0.00000  -0.00000   0.00001  -0.00000  -0.00000   0.01446
    0.00000  -0.00165   0.00000  -0.00879   0.00000  -0.00879   0.00000   0.00165
    0.00000   0.04743  -0.00000   0.00000   0.23257                              
   -0.00011   0.00012   0.00026   0.00012  -0.00005   0.00003  -0.00005  -0.00009
    0.00012   0.00007  -0.00000  -0.00002   0.00000  -0.00008   0.05846   0.00000
   -0.00001  -0.00061  -0.00000  -0.03188  -0.00003   0.03188  -0.00002  -0.00061
   -0.00002   0.00000   0.00000  -0.00002   0.00000   0.54695                    
 stop                                                                            

 ************************************************************************************************************************
 gf  *   KRAFTFELD TEST RECHNUNG                                                     *programmed by g. pongor, 1978
 ************************************************************************************************************************
                     nuclear coordinates (a) and masses

      1     -5.6975186   2.1513147   0.0067057      12.000000
      2     -5.8084151   0.8011938  -0.0085880      12.000000
      3     -4.4508810   0.2119026  -0.0086065      12.000000
      4     -3.5403200   1.2148997   0.0066787      12.000000
      5     -4.2645011   2.4995709   0.0175655      12.000000
      6     -3.7274021   3.7368739   0.0343018      12.000000
      7     -6.4956008   2.8677041   0.0109534       1.007825
      8     -6.7193639   0.2346541  -0.0193128       1.007825
      9     -4.2426730  -0.8404497  -0.0193504       1.007825
     10     -2.4719801   1.1210988   0.0109053       1.007825
     11     -4.3443465   4.6172469   0.0412626       1.007825
     12     -2.6629649   3.8873756   0.0412409       1.007825

 g matrix

     0.166667
    -0.026812    0.166667
     0.000000   -0.026811    0.166667
    -0.026247    0.000000    0.000000    0.166667
     0.000000    0.000000   -0.026247   -0.022616    0.166667
     0.000000    0.000000    0.000000   -0.050298   -0.050298       0.166667
    -0.050403    0.000000    0.000000   -0.047110    0.000000       0.000000    1.075569
    -0.049659   -0.047385    0.000000    0.000000    0.000000       0.000000    0.000000    1.075569
     0.000000   -0.047386   -0.049659    0.000000    0.000000       0.000000    0.000000    0.000000    1.075569
     0.000000    0.000000   -0.050403    0.000000   -0.047110       0.000000    0.000000    0.000000    0.000000    1.075569
     0.000000    0.000000    0.000000    0.000000    0.000000      -0.043560    0.000000    0.000000    0.000000    0.000000
     1.075569
     0.000000    0.000000    0.000000    0.000000    0.000000      -0.043560    0.000000    0.000000    0.000000    0.000000
    -0.037794    1.075569
     0.061360   -0.082365    0.061360   -0.020942   -0.020942       0.103091   -0.087965    0.034929    0.034929   -0.087965
     0.000000    0.000000    0.361165
     0.044201   -0.000000   -0.044202   -0.077037    0.077037       0.000000    0.065002   -0.103799    0.103799   -0.065002
     0.000000    0.000000    0.000000    0.382107
    -0.000002    0.000000    0.000002   -0.000000    0.000001      -0.000000    0.000027    0.000028   -0.000029   -0.000027
     0.000000    0.000000    0.000000   -0.000001    0.857253
     0.000013    0.000017    0.000013    0.000011    0.000011      -0.000046    0.000031    0.000004    0.000004    0.000032
     0.000000    0.000000   -0.000002    0.000000   -0.000000       0.787537
    -0.125432   -0.041183    0.000000    0.131925    0.038456      -0.031857   -0.001679    0.034929    0.000000    0.000000
     0.000000    0.000000   -0.034448   -0.082960   -0.000007      -0.000015    2.069819
     0.000015    0.000010    0.000000    0.000014    0.000013      -0.000020    0.000033    0.000003    0.000000    0.000000
     0.000000    0.000000   -0.000006    0.000005    0.318322       0.408226   -0.000024    1.306626
    -0.125918    0.131548    0.037700   -0.041282    0.000000       0.000000    0.034638   -0.002176   -0.032753    0.000000
     0.000000    0.000000   -0.090200   -0.009565    0.000012      -0.000003   -0.101008   -0.000006    2.067184
     0.000009    0.000009    0.000000    0.000010    0.000000       0.000000    0.000009    0.000020   -0.000010    0.000000
     0.000000    0.000000    0.000002    0.000004    0.499578       0.170572   -0.000018    0.229272   -0.000011    1.307741
    -0.037700   -0.131547    0.125918    0.000000    0.041282       0.000000    0.000000    0.032753    0.002176   -0.034638
     0.000000    0.000000    0.090200   -0.009566    0.000012       0.000004    0.006686    0.000005    0.084368    0.000014
     2.067182
    -0.000000    0.000009    0.000009    0.000000    0.000009       0.000000    0.000000   -0.000009    0.000020    0.000010
     0.000000    0.000000    0.000002   -0.000005   -0.499577       0.170571    0.000006   -0.030638   -0.000013   -0.205032
     0.000011    1.307738
     0.000000   -0.041183   -0.125433    0.038456    0.131926      -0.031857    0.000000    0.000000    0.034929   -0.001679
     0.000000    0.000000   -0.034448    0.082960    0.000008      -0.000015    0.005199    0.000004   -0.006686    0.000006
     0.101008   -0.000018    2.069820
     0.000000   -0.000009   -0.000015   -0.000013   -0.000014       0.000020    0.000000    0.000000   -0.000003   -0.000033
     0.000000    0.000000    0.000006    0.000005    0.318323      -0.408227   -0.000004   -0.026975    0.000005    0.030638
    -0.000006   -0.229272    0.000024    1.306628
     0.037922    0.000000   -0.037922    0.108113   -0.108113      -0.000000   -0.032958    0.000000    0.000000    0.032958
    -0.074479    0.074479   -0.000000   -0.079486   -0.000071      -0.000000   -0.081617   -0.000050   -0.006568   -0.000012
    -0.006568    0.000012    0.081617   -0.000049    0.350548
     0.000013    0.000000    0.000013   -0.000007   -0.000007      -0.000018    0.000004    0.000000    0.000000    0.000004
    -0.000001   -0.000001    0.000058   -0.000000   -0.000000       0.441075   -0.000013    0.188718   -0.000004    0.030018
     0.000004    0.030018   -0.000013   -0.188718    0.000000       0.388153
     0.000000    0.000000    0.000000    0.000000    0.000000       0.161869    0.000000    0.000000    0.000000    0.000000
    -0.084612   -0.084612   -0.000000    0.000000    0.000000      -0.000002    0.000000   -0.000001    0.000000    0.000000
     0.000000    0.000000    0.000000    0.000001   -0.000000      -0.000001    2.890037
     0.000000    0.000000    0.000000    0.069656   -0.069656       0.000000    0.000000    0.000000    0.000000    0.000000
    -0.123330    0.123330   -0.000000   -0.026584   -0.000013      -0.000000   -0.025283   -0.000009    0.000000    0.000000
     0.000000    0.000000    0.025283   -0.000009    0.293824      -0.000000   -0.000000    1.201276
     0.000000    0.000000    0.000000    0.000007    0.000007       0.000006    0.000000    0.000000    0.000000    0.000000
     0.000001    0.000001   -0.000027    0.000000    0.000000      -0.116103    0.000002   -0.035147    0.000000    0.000000
     0.000000    0.000000    0.000001    0.035147   -0.000000      -0.270925    0.000038   -0.000000    2.146403
     0.000018    0.000000   -0.000018    0.000013   -0.000013      -0.000000   -0.000004    0.000000    0.000000    0.000004
    -0.000003    0.000003    0.000000   -0.000017    0.085608      -0.000000   -0.000026    0.075935   -0.000004    0.022725
    -0.000004   -0.022725    0.000026    0.075935    0.000030       0.000000    0.000000    0.000023   -0.000003    0.620796


 f matrix

     9.018990
     0.407410    5.366210
     0.005020    0.407510    9.019040
     0.401080    0.021600   -0.069520    5.362990
    -0.069340    0.021530    0.400920    0.315130    5.363150
    -0.071690   -0.109740   -0.071820    0.390050    0.390050       9.387860
     0.098690   -0.004930   -0.046910    0.069170    0.003340       0.014630    6.346000
     0.102820    0.074560    0.010560    0.001280   -0.046280       0.008320    0.012270    6.338350
     0.010450    0.074680    0.102650   -0.046290    0.001140       0.008270    0.002450    0.012960    6.338420
    -0.046910   -0.004800    0.098700    0.003460    0.069310       0.014510    0.002700    0.002410    0.012210    6.346160
     0.007690   -0.001620    0.000390    0.012750   -0.008670       0.093870    0.007520    0.001040    0.001580    0.000860
     6.245960
     0.000500   -0.001580    0.007820   -0.008720    0.012710       0.094130    0.000940    0.001410    0.001170    0.007480
     0.045610    6.245990
    -0.297570    0.471030   -0.297520    0.087930    0.087900      -0.282060    0.120030   -0.059600   -0.059530    0.120100
    -0.014680   -0.014670    1.854110
    -0.155780    0.000080    0.155790    0.264160   -0.264150      -0.000060   -0.094940    0.141940   -0.141960    0.094930
    -0.009510    0.009510   -0.000010    1.723550
     0.000140   -0.000030   -0.000120   -0.000180    0.000050      -0.000070    0.000020   -0.000060    0.000060   -0.000020
     0.000030    0.000000    0.000080    0.000010    0.478340
     0.000000   -0.000090    0.000030   -0.000070   -0.000080       0.000080    0.000000    0.000000    0.000010    0.000010
     0.000000   -0.000010   -0.000030   -0.000010    0.000000       0.406650
     0.122860   -0.015280   -0.001840   -0.110620    0.014930       0.011810    0.001940   -0.002660    0.006270   -0.006270
    -0.010010    0.002050   -0.047380   -0.059350    0.000000       0.000010    0.526660
    -0.000200    0.000030    0.000010   -0.000030   -0.000060       0.000010   -0.000050   -0.000010    0.000000    0.000000
     0.000000    0.000000   -0.000070    0.000060   -0.161430      -0.170620    0.000010    0.387690
     0.122300   -0.115690    0.007080   -0.014910    0.000930       0.008290   -0.003100    0.003570   -0.003210   -0.007430
    -0.000380    0.004040   -0.077190   -0.025770   -0.000010      -0.000010   -0.012600    0.000000    0.539430
    -0.000180   -0.000050    0.000020   -0.000020   -0.000020      -0.000020    0.000000   -0.000040    0.000010   -0.000010
     0.000010   -0.000010    0.000030   -0.000060   -0.180280      -0.098750    0.000000    0.094560    0.000010    0.413120
    -0.006950    0.115560   -0.122420   -0.000770    0.014990      -0.008440    0.007450    0.003250   -0.003660    0.003020
    -0.004060    0.000390    0.077110   -0.025770   -0.000010       0.000010    0.014930   -0.000010    0.012200    0.000010
     0.539500
     0.000040   -0.000050   -0.000160   -0.000020    0.000000      -0.000020   -0.000010    0.000010   -0.000060    0.000000
     0.000000    0.000000    0.000040    0.000050    0.180280      -0.098750   -0.000010   -0.020910    0.000000   -0.009250
    -0.000010    0.413120
    -0.001870   -0.015320    0.123120    0.014970   -0.110600       0.011700   -0.006260    0.006210   -0.002620    0.001920
     0.002060   -0.010010   -0.047340    0.059360    0.000000       0.000010    0.014790    0.000000   -0.014920    0.000000
     0.012610    0.000000    0.526720
     0.000180    0.000150    0.000010    0.000040   -0.000190       0.000410    0.000040    0.000040    0.000040    0.000060
     0.000030    0.000010   -0.000040    0.000000   -0.161430       0.170620   -0.000010   -0.034870    0.000020    0.020910
     0.000000   -0.094560   -0.000030    0.387690
     0.047620    0.000090   -0.047630   -0.191370    0.191260      -0.000080    0.005090   -0.006730    0.006770   -0.005120
     0.052740   -0.052710   -0.000010   -0.126410    0.000160       0.000000   -0.018150    0.000000   -0.020500    0.000010
    -0.020510   -0.000020    0.018170   -0.000040    0.732880
    -0.000140    0.000090    0.000200    0.000190    0.000070       0.000090   -0.000050   -0.000080    0.000120    0.000060
     0.000010   -0.000010   -0.000020   -0.000050    0.000000      -0.027110   -0.000010    0.019460    0.000010   -0.023710
    -0.000020   -0.023720   -0.000030   -0.019460   -0.000010       0.406950
    -0.001980    0.008450   -0.001930   -0.014980   -0.014790      -0.208960   -0.006360   -0.001670   -0.001570   -0.006240
     0.066280    0.066280    0.029780    0.000020    0.000000       0.000000    0.003080    0.000000   -0.001990    0.000010
     0.001960    0.000000    0.003090   -0.000010    0.000040      -0.000010    0.547580
    -0.000930    0.000070    0.001010   -0.039490    0.039480       0.000140    0.002800   -0.002490    0.002490   -0.002820
     0.099820   -0.099820   -0.000040   -0.022690   -0.000030       0.000000    0.000500    0.000010   -0.005190    0.000010
    -0.005170    0.000000   -0.000490   -0.000020    0.113060      -0.000030    0.000000    0.620390
    -0.000010    0.000000    0.000010    0.000000   -0.000010      -0.000020    0.000000   -0.000010   -0.000010    0.000000
     0.000000    0.000000    0.000010    0.000000    0.000000       0.014460    0.000000   -0.001650    0.000000   -0.008790
     0.000000   -0.008790    0.000000    0.001650    0.000000       0.047430    0.000000    0.000000    0.232570
    -0.000110    0.000120    0.000260    0.000120   -0.000050       0.000030   -0.000050   -0.000090    0.000120    0.000070
     0.000000   -0.000020    0.000000   -0.000080    0.058460       0.000000   -0.000010   -0.000610    0.000000   -0.031880
    -0.000030    0.031880   -0.000020   -0.000610   -0.000020       0.000000    0.000000   -0.000020    0.000000    0.546950

 determinant of g=    4.60545E-07



 ***results***


 ************************************************************************




 frequencies
  no.  exp(cm-1)    calc(cm-1)   calc-exp    100*(calc-exp)/exp      weight

   1       0.00       221.96       0.00              0.00         1.000000E+00
   2       0.00       369.14       0.00              0.00         1.000000E+00
   3       0.00       512.96       0.00              0.00         1.000000E+00
   4       0.00       641.29       0.00              0.00         1.000000E+00
   5       0.00       706.63       0.00              0.00         1.000000E+00
   6       0.00       715.96       0.00              0.00         1.000000E+00
   7       0.00       790.59       0.00              0.00         1.000000E+00
   8       0.00       797.39       0.00              0.00         1.000000E+00
   9       0.00       856.72       0.00              0.00         1.000000E+00
  10       0.00       906.48       0.00              0.00         1.000000E+00
  11       0.00       925.75       0.00              0.00         1.000000E+00
  12       0.00       929.95       0.00              0.00         1.000000E+00
  13       0.00       957.56       0.00              0.00         1.000000E+00
  14       0.00      1038.17       0.00              0.00         1.000000E+00
  15       0.00      1048.73       0.00              0.00         1.000000E+00
  16       0.00      1187.86       0.00              0.00         1.000000E+00
  17       0.00      1194.30       0.00              0.00         1.000000E+00
  18       0.00      1368.82       0.00              0.00         1.000000E+00
  19       0.00      1461.67       0.00              0.00         1.000000E+00
  20       0.00      1483.43       0.00              0.00         1.000000E+00
  21       0.00      1564.34       0.00              0.00         1.000000E+00
  22       0.00      1637.89       0.00              0.00         1.000000E+00
  23       0.00      1691.30       0.00              0.00         1.000000E+00
  24       0.00      1781.67       0.00              0.00         1.000000E+00
  25       0.00      3330.25       0.00              0.00         1.000000E+00
  26       0.00      3388.78       0.00              0.00         1.000000E+00
  27       0.00      3396.68       0.00              0.00         1.000000E+00
  28       0.00      3410.96       0.00              0.00         1.000000E+00
  29       0.00      3414.09       0.00              0.00         1.000000E+00
  30       0.00      3420.29       0.00              0.00         1.000000E+00
     mean deviation (cm-1)=1814.9

     zero point energy (cm-1)=  22575.80



 frequencies and l transpose

   1      221.96       0.00000   -0.00001   -0.00000   -0.00001   -0.00000     -0.00000    0.00000    0.00000   -0.00000   -0.00000
                      -0.00000    0.00000   -0.00001    0.00001   -0.00000     -0.21094    0.00001   -0.08280   -0.00001   -0.00947
                       0.00001   -0.00946    0.00002    0.08280    0.00001      0.20027    0.00000    0.00001    0.00285   -0.00000
   2      369.14      -0.00962   -0.00001    0.00962   -0.01331    0.01331      0.00000    0.00015   -0.00057    0.00057   -0.00015
                       0.00113   -0.00113   -0.00000    0.04074   -0.00027     -0.00001    0.03604   -0.00007    0.00123   -0.00009
                       0.00125    0.00011   -0.03606   -0.00001    0.31637     -0.00001   -0.00003   -0.12967    0.00000    0.00004
   3      512.96      -0.00002   -0.00000    0.00002    0.00003    0.00002     -0.00001   -0.00000    0.00000   -0.00001    0.00000
                      -0.00000   -0.00000   -0.00003   -0.00003    0.70249     -0.00000    0.00000    0.31952   -0.00001    0.05198
                       0.00000   -0.05198   -0.00000    0.31952    0.00003     -0.00000    0.00000   -0.00000   -0.00000   -0.20882
   4      641.29       0.00002   -0.00001   -0.00000    0.00003    0.00004      0.00003    0.00000    0.00001   -0.00001   -0.00001
                       0.00000    0.00000   -0.00017    0.00004   -0.00002      0.65958   -0.00003   -0.04475   -0.00003    0.32980
                       0.00003    0.32985   -0.00002    0.04477   -0.00000      0.43161   -0.00002    0.00003    0.01155   -0.00001
   5      706.63       0.01746   -0.02665    0.01747    0.06619    0.06618      0.06445    0.00155    0.00064    0.00065    0.00156
                       0.00311    0.00311   -0.30106   -0.00001    0.00134     -0.00028   -0.08471   -0.00163   -0.05789    0.00136
                       0.05779   -0.00183   -0.08465   -0.00200   -0.00002     -0.00027   -0.03491   -0.00004   -0.00003    0.00092
   6      715.96       0.00007   -0.00013    0.00008    0.00026    0.00030      0.00023    0.00001   -0.00001    0.00001    0.00000
                       0.00001    0.00001   -0.00113   -0.00018   -0.37647     -0.00001   -0.00039    0.44850   -0.00024   -0.41494
                       0.00021    0.41490   -0.00026    0.44847   -0.00005     -0.00001   -0.00013    0.00004   -0.00001   -0.26527
   7      790.59      -0.00003   -0.00001    0.00003    0.00002    0.00003     -0.00002   -0.00001   -0.00001    0.00001    0.00000
                      -0.00000   -0.00000   -0.00011    0.00003   -0.00002     -0.49699    0.00001   -0.57719   -0.00007    0.35694
                      -0.00001    0.35689    0.00000    0.57715   -0.00003     -0.35109   -0.00001    0.00005   -0.02297   -0.00009
   8      797.39       0.00000   -0.00006   -0.00001   -0.00003    0.00007     -0.00001    0.00000    0.00001   -0.00002   -0.00001
                      -0.00000    0.00000   -0.00004    0.00002    0.15161     -0.00006   -0.00001    0.33121   -0.00003   -0.16610
                       0.00006    0.16618    0.00003    0.33134   -0.00006     -0.00004   -0.00000    0.00014    0.00000    0.70973
   9      856.72      -0.00681   -0.00002    0.00681    0.09579   -0.09578      0.00001    0.00114    0.00102   -0.00102   -0.00114
                      -0.00050    0.00050    0.00003    0.41674   -0.00011      0.00001    0.11567    0.00024    0.06607   -0.00021
                       0.06601    0.00019   -0.11569    0.00015    0.03388      0.00001    0.00003   -0.06823   -0.00006   -0.00005
  10      906.48      -0.00001   -0.00002   -0.00001   -0.00002    0.00001     -0.00001   -0.00000   -0.00000   -0.00001   -0.00000
                      -0.00000    0.00000    0.00001    0.00001   -0.00002      0.02722   -0.00000   -0.12078   -0.00001   -0.15299
                      -0.00001   -0.15292    0.00002    0.12073   -0.00001      0.17982    0.00002    0.00008   -1.41153    0.00000
  11      925.75       0.00005    0.00008    0.00000   -0.00005   -0.00011      0.00001    0.00001    0.00001    0.00000    0.00000
                       0.00000    0.00000   -0.00009   -0.00009   -0.00008      0.24547    0.00006    0.55690   -0.00003    0.53995
                       0.00012    0.54022    0.00005   -0.55708    0.00003      0.07845   -0.00000   -0.00021   -0.39157   -0.00001
  12      929.95       0.00000   -0.00008   -0.00001    0.00012    0.00022      0.00000    0.00000    0.00001   -0.00002    0.00000
                      -0.00000    0.00000    0.00027    0.00013    0.44614      0.00006   -0.00009    0.47639    0.00015    0.74435
                      -0.00025   -0.74417   -0.00011    0.47618   -0.00006      0.00004   -0.00005    0.00017   -0.00014    0.05566
  13      957.56      -0.00267   -0.02886   -0.00266    0.16154    0.16156      0.03272    0.00570    0.00185    0.00184    0.00569
                       0.00254    0.00255    0.28884   -0.00002   -0.00044      0.00010   -0.10220   -0.00030    0.22557   -0.00044
                      -0.22557    0.00095   -0.10225   -0.00077    0.00001      0.00006   -0.04192    0.00014   -0.00019   -0.00003
  14     1038.17      -0.02180   -0.00062    0.02168   -0.12017    0.11995     -0.00007   -0.00424   -0.00092    0.00089    0.00421
                      -0.00196    0.00196   -0.00000    0.23018   -0.00019      0.00008    0.14379    0.00002   -0.06885   -0.00008
                      -0.06959    0.00034   -0.14432   -0.00044   -0.03479      0.00001   -0.00002    0.78388    0.00003   -0.00019
  15     1048.73       0.03119    0.30015    0.03128    0.04699    0.04751      0.02715    0.00727    0.00980    0.00980    0.00728
                       0.00186    0.00186   -0.02234    0.00051    0.00005     -0.00002    0.12813    0.00003   -0.22227   -0.00003
                       0.22202   -0.00013    0.12748    0.00022   -0.00010     -0.00000   -0.03348    0.00155   -0.00003    0.00009
  16     1187.86      -0.10456   -0.00005    0.10325   -0.00953    0.00980     -0.00037   -0.00507   -0.00200    0.00191    0.00503
                      -0.00068    0.00063   -0.00024    0.04317   -0.00003      0.00009   -0.54553    0.00008   -0.49235    0.00000
                      -0.48297    0.00006    0.53555   -0.00016   -0.08964      0.00005    0.00043   -0.09156   -0.00002   -0.00000
  17     1194.30      -0.07597   -0.00574   -0.07769    0.01566    0.01545     -0.04328   -0.00251   -0.00517   -0.00519   -0.00259
                      -0.00303   -0.00303   -0.03235   -0.00039   -0.00002      0.00004   -0.59229    0.00003   -0.55156    0.00004
                       0.55987    0.00006   -0.60137   -0.00010    0.00078      0.00001    0.06231    0.00078   -0.00001   -0.00002
  18     1368.82      -0.00161    0.00009    0.00159    0.14447   -0.14453      0.00002    0.00409   -0.00027    0.00028   -0.00409
                      -0.00468    0.00468   -0.00007   -0.12776    0.00002     -0.00001   -0.54479   -0.00000    0.42477    0.00007
                       0.42429   -0.00006    0.54453    0.00002    0.38684     -0.00001    0.00015    0.62416    0.00001    0.00007
  19     1461.67      -0.03737   -0.00013    0.03751    0.21783   -0.21767     -0.00010    0.00631   -0.00098    0.00097   -0.00630
                      -0.00269    0.00268    0.00003   -0.27845    0.00001      0.00002    0.52393    0.00002   -0.55516    0.00003
                      -0.55433   -0.00004   -0.52325    0.00002    0.23726      0.00002    0.00041    0.36910   -0.00001    0.00008
  20     1483.43       0.04214    0.17313    0.04220   -0.01301   -0.01302     -0.12995    0.00348    0.01195    0.01193    0.00345
                      -0.01266   -0.01266   -0.21181   -0.00002    0.00001      0.00007   -0.54478    0.00005    0.57450   -0.00002
                      -0.57492   -0.00001   -0.54528   -0.00000   -0.00007      0.00003    0.56727   -0.00008    0.00001    0.00004
  21     1564.34      -0.13689    0.17519   -0.13686   -0.08952   -0.08977      0.11724   -0.01415   -0.00314   -0.00315   -0.01415
                       0.01161    0.01162   -0.06192   -0.00015    0.00003     -0.00009   -0.22821    0.00001    0.46590    0.00000
                      -0.46677   -0.00003   -0.22905    0.00016    0.00011     -0.00004   -0.92767    0.00016   -0.00003    0.00002
  22     1637.89       0.21908   -0.09610    0.21924   -0.07831   -0.07838     -0.02940    0.01040    0.01277    0.01282    0.01043
                       0.00259    0.00258    0.20296   -0.00008    0.00001      0.00002   -0.44547   -0.00003   -0.17019   -0.00001
                       0.17060   -0.00001   -0.44567    0.00003   -0.00002      0.00004   -0.93168   -0.00000   -0.00002    0.00001
  23     1691.30      -0.25909    0.00001    0.25900    0.03559   -0.03568      0.00018   -0.01842   -0.01983    0.01983    0.01841
                       0.00067   -0.00066    0.00007   -0.16947    0.00001      0.00006    0.36444    0.00003    0.58167    0.00003
                       0.58156   -0.00001   -0.36432   -0.00006   -0.14764      0.00004    0.00064   -0.07877   -0.00002   -0.00002
  24     1781.67       0.06576   -0.01868    0.06554   -0.15332   -0.15331      0.34943   -0.00116    0.00336    0.00333   -0.00119
                       0.01455    0.01452    0.27947    0.00006    0.00005     -0.00011   -0.31346   -0.00005   -0.01945    0.00002
                       0.01865   -0.00003   -0.31333    0.00019    0.00006     -0.00002    0.90566    0.00007    0.00001    0.00002
  25     3330.25       0.00138    0.00000    0.00140    0.00472    0.00470     -0.07233   -0.02175    0.00396    0.00302   -0.02128
                       0.71964    0.71963   -0.00500   -0.00012    0.00000      0.00000    0.00009    0.00000    0.00022    0.00000
                      -0.00020   -0.00000    0.00005    0.00000    0.00002     -0.00000   -0.10668   -0.00000    0.00000   -0.00000
  26     3388.78      -0.01205   -0.00011    0.01206    0.01985   -0.01975      0.00005   -0.40038    0.61608   -0.61383    0.39813
                       0.01119   -0.01229    0.00027   -0.17121   -0.00000     -0.00000    0.02561   -0.00002    0.00883    0.00000
                       0.00904    0.00000   -0.02553   -0.00001    0.02471     -0.00000    0.00008   -0.00055    0.00000   -0.00000
  27     3396.68      -0.00548    0.04518   -0.00531   -0.02708   -0.02710      0.00001    0.56124   -0.46947   -0.47296    0.56172
                       0.01881    0.01818   -0.12456   -0.00038   -0.00000      0.00003   -0.02226    0.00001    0.04280   -0.00000
                      -0.04267    0.00000   -0.02241   -0.00001   -0.00004      0.00000   -0.00648   -0.00007    0.00000    0.00000
  28     3410.96      -0.05533   -0.00008    0.05527   -0.02800    0.02801      0.00001    0.59235    0.38883   -0.38720   -0.59269
                      -0.19152    0.19139    0.00008   -0.00599    0.00004     -0.00001    0.02070    0.00001    0.04808    0.00001
                       0.04821   -0.00001   -0.02063    0.00001   -0.02052     -0.00001   -0.00004    0.03642    0.00001   -0.00002
  29     3414.09       0.01452    0.00001   -0.01456    0.00626   -0.00632      0.00001   -0.16337   -0.09314    0.09293    0.16440
                      -0.72098    0.72104   -0.00009   -0.00038   -0.00001      0.00000   -0.00308   -0.00000   -0.01218   -0.00001
                      -0.01224    0.00000    0.00306   -0.00001    0.10627      0.00000    0.00002    0.15367   -0.00000    0.00001
  30     3420.29      -0.05703   -0.05204   -0.05710   -0.02156   -0.02159      0.00142    0.47050    0.56114    0.56184    0.47108
                       0.01154    0.01078   -0.04494    0.00003    0.00000      0.00003    0.02737    0.00001   -0.00282    0.00001
                       0.00274    0.00000    0.02739    0.00000   -0.00003      0.00000   -0.00486   -0.00008   -0.00000    0.00000


 frequencies and l-1 matrix (det(l)=-6.78634E-04)

   1      221.96       0.00014   -0.00013    0.00017    0.00023    0.00033      0.00034    0.00001    0.00003    0.00002    0.00001
                       0.00002    0.00001   -0.00064    0.00002   -0.00000     -2.10309   -0.00001    0.14471   -0.00001    0.21133
                       0.00001    0.21134   -0.00001   -0.14471    0.00006      2.91395   -0.00002    0.00000    0.26011    0.00000
   2      369.14      -0.99005   -0.00005    0.99011   -1.50570    1.50584      0.00012   -0.04564   -0.01855    0.01855    0.04564
                       0.11907   -0.11906   -0.00005    0.30613   -0.00022      0.00005    0.13317    0.00010   -0.08723    0.00003
                      -0.08723   -0.00001   -0.13319    0.00016    2.67795     -0.00007   -0.00002   -0.55149   -0.00001    0.00009
   3      512.96      -0.00023   -0.00008    0.00038   -0.00018    0.00068      0.00020   -0.00004   -0.00003    0.00004    0.00004
                       0.00004   -0.00003   -0.00015   -0.00002    1.30248     -0.00000    0.00001    0.03521   -0.00003   -0.39437
                      -0.00004    0.39437   -0.00004    0.03521    0.00080      0.00000   -0.00001   -0.00012   -0.00000   -0.49573
   4      641.29       0.00048   -0.00063    0.00035    0.00082    0.00081      0.00176   -0.00007    0.00005    0.00001   -0.00007
                       0.00007    0.00007   -0.00129    0.00009   -0.00001      0.85354   -0.00005   -0.40765    0.00001    0.22466
                       0.00000    0.22469   -0.00006    0.40768   -0.00003      0.58161   -0.00010    0.00004    0.11161   -0.00001
   5      706.63       0.80277   -0.88055    0.80284    1.32322    1.32301      2.53919   -0.06206    0.06563    0.06564   -0.06206
                       0.09746    0.09747   -1.94284   -0.00000    0.00227     -0.00039   -0.11284   -0.00190    0.00022    0.00045
                      -0.00027   -0.00087   -0.11278   -0.00253   -0.00011     -0.00019   -0.14859   -0.00002   -0.00009    0.00166
   6      715.96       0.00323   -0.00355    0.00292    0.00505    0.00546      0.00967   -0.00019    0.00019    0.00029   -0.00026
                       0.00036    0.00038   -0.00735   -0.00074   -0.63171     -0.00002   -0.00051    0.56708    0.00001   -0.15608
                      -0.00002    0.15605   -0.00040    0.56704   -0.00027     -0.00002   -0.00056    0.00012   -0.00001   -0.46750
   7      790.59      -0.00002   -0.00018    0.00039    0.00030    0.00021      0.00009   -0.00002    0.00001    0.00001    0.00002
                      -0.00000    0.00000   -0.00037    0.00012   -0.00004     -0.18046   -0.00004   -0.37908   -0.00004    0.43246
                      -0.00003    0.43240   -0.00001    0.37907   -0.00012     -0.46132   -0.00001    0.00007   -0.09110   -0.00014
   8      797.39      -0.00012   -0.00055    0.00013   -0.00017    0.00062      0.00029   -0.00004   -0.00001   -0.00002    0.00000
                       0.00003   -0.00000   -0.00031   -0.00002    0.17874     -0.00002   -0.00001    0.19426   -0.00001   -0.21852
                      -0.00001    0.21862   -0.00004    0.19435   -0.00005     -0.00006   -0.00002    0.00017   -0.00001    1.08708
   9      856.72      -0.13240   -0.00014    0.13237    1.32084   -1.32066      0.00003   -0.05958    0.15935   -0.15937    0.05960
                      -0.02718    0.02719    0.00007    1.73714   -0.00014     -0.00003    0.04882    0.00026    0.05399   -0.00015
                       0.05393    0.00013   -0.04884    0.00017   -0.18460     -0.00000    0.00001   -0.12990   -0.00003   -0.00008
  10      906.48      -0.00011   -0.00016   -0.00002   -0.00015    0.00012     -0.00008   -0.00001   -0.00001   -0.00001    0.00000
                       0.00001   -0.00001   -0.00002   -0.00000    0.00002      0.11814   -0.00000   -0.12624   -0.00001   -0.13473
                      -0.00001   -0.13467   -0.00000    0.12620    0.00001      0.01662    0.00002    0.00008   -0.65327    0.00001
  11      925.75       0.00052    0.00053   -0.00008   -0.00070   -0.00110     -0.00025   -0.00001    0.00003    0.00005   -0.00009
                      -0.00003    0.00001   -0.00028   -0.00024    0.00008     -0.40541    0.00012    0.46619   -0.00003    0.46825
                       0.00012    0.46846    0.00011   -0.46633    0.00003      0.00547    0.00002   -0.00022   -0.18840   -0.00000
  12      929.95      -0.00038   -0.00050    0.00007    0.00139    0.00215      0.00052    0.00009   -0.00003   -0.00007    0.00018
                       0.00004   -0.00001    0.00089    0.00028   -0.40324     -0.00006   -0.00014    0.35713    0.00015    0.56363
                      -0.00023   -0.56348   -0.00021    0.35697    0.00011      0.00003   -0.00004    0.00017   -0.00006    0.01667
  13      957.56      -0.09835   -0.12366   -0.09835    1.77974    1.78003      0.67769    0.15073   -0.02791   -0.02790    0.15072
                       0.02676    0.02674    0.95776   -0.00009    0.00039     -0.00024   -0.16724   -0.00024    0.18601   -0.00030
                      -0.18601    0.00074   -0.16728   -0.00059    0.00000      0.00010   -0.05090    0.00013   -0.00008    0.00004
  14     1038.17      -0.44445   -0.00535    0.44189   -0.94137    0.93928     -0.00089   -0.08968    0.02449   -0.02504    0.08933
                       0.09110   -0.09118   -0.00052    0.49406    0.00006     -0.00011    0.11520    0.00008   -0.07478   -0.00003
                      -0.07564    0.00022   -0.11564   -0.00032    0.11852     -0.00005    0.00004    0.76710    0.00001   -0.00023
  15     1048.73       0.63616    2.58212    0.63800    0.43828    0.44214      0.41294    0.07643    0.13605    0.13593    0.07681
                       0.01656    0.01619    0.16007    0.00112   -0.00007      0.00003    0.11021   -0.00000   -0.23167   -0.00006
                       0.23138   -0.00013    0.10970    0.00021    0.00022      0.00005   -0.03375    0.00154   -0.00001    0.00013
  16     1187.86      -1.30346    0.00049    1.28682    0.01263   -0.01052     -0.00426   -0.07135   -0.01733    0.01644    0.07106
                      -0.01298    0.01263    0.00159    0.24635   -0.00002     -0.00001   -0.35271    0.00006   -0.34079    0.00001
                      -0.33509    0.00002    0.34638   -0.00010   -0.05794      0.00006    0.00038   -0.07528   -0.00000    0.00005
  17     1194.30      -0.96826    0.05155   -0.98999    0.12742    0.12736     -0.48840   -0.01793   -0.05183   -0.05209   -0.01914
                      -0.01942   -0.01963    0.16921   -0.00209    0.00000     -0.00003   -0.37469    0.00002   -0.33513    0.00004
                       0.34087    0.00004   -0.38055   -0.00007    0.00048      0.00001    0.04777    0.00062   -0.00000   -0.00003
  18     1368.82       0.06597    0.00037   -0.06586    0.59604   -0.59626      0.00007    0.04387   -0.00860    0.00866   -0.04389
                       0.05680   -0.05679   -0.00013   -0.14894   -0.00001      0.00000   -0.26746   -0.00000    0.20176    0.00005
                       0.20158   -0.00003    0.26738    0.00001    0.28689     -0.00002    0.00005    0.37738    0.00000    0.00003
  19     1461.67      -0.14142   -0.00031    0.14224    0.70839   -0.70793     -0.00060    0.06313   -0.03950    0.03947   -0.06304
                       0.02854   -0.02858    0.00005   -0.33888   -0.00003      0.00001    0.19655    0.00001   -0.24814    0.00002
                      -0.24782   -0.00004   -0.19625    0.00003    0.13303      0.00005    0.00017    0.19922    0.00000    0.00010
  20     1483.43       0.40685    0.59213    0.40731   -0.06968   -0.06952     -1.01749   -0.00932    0.07944    0.07945   -0.00933
                      -0.03443   -0.03441   -0.24856   -0.00001   -0.00001     -0.00001   -0.22886    0.00001    0.24493   -0.00002
                      -0.24515   -0.00002   -0.22907    0.00002   -0.00001      0.00004    0.25126   -0.00005    0.00000    0.00006
  21     1564.34      -0.79765    0.46720   -0.79758   -0.33395   -0.33476      0.86457   -0.07488   -0.00905   -0.00901   -0.07494
                       0.01746    0.01743   -0.05615   -0.00018   -0.00002     -0.00001   -0.10103    0.00004    0.15465    0.00001
                      -0.15503    0.00000   -0.10137    0.00009    0.00004      0.00001   -0.36839    0.00008   -0.00001    0.00002
  22     1637.89       1.12713   -0.12317    1.12787   -0.19524   -0.19548     -0.14737    0.06702    0.05695    0.05706    0.06707
                      -0.02944   -0.02944    0.14981   -0.00010    0.00003      0.00002   -0.13532   -0.00005   -0.03230   -0.00003
                       0.03244   -0.00001   -0.13536    0.00004   -0.00005      0.00001   -0.31585   -0.00000    0.00000    0.00002
  23     1691.30      -1.30018   -0.00002    1.29961   -0.00753    0.00728      0.00087   -0.07817   -0.10083    0.10080    0.07813
                      -0.01070    0.01082    0.00005   -0.14684   -0.00007      0.00001    0.09722    0.00003    0.17733    0.00005
                       0.17730   -0.00004   -0.09714   -0.00001   -0.10142      0.00008    0.00018   -0.04128    0.00000    0.00006
  24     1781.67       0.20581    0.03318    0.20483   -0.35919   -0.35914      1.54013    0.01050    0.00959    0.00950    0.01042
                       0.09766    0.09761    0.21563    0.00004    0.00001      0.00002   -0.08165   -0.00002   -0.00494    0.00001
                       0.00464   -0.00000   -0.08164    0.00012    0.00005     -0.00001    0.23283    0.00005   -0.00000    0.00001
  25     3330.25       0.00400    0.00067    0.00403    0.00021    0.00020     -0.07914   -0.02028    0.00404    0.00317   -0.01984
                       0.69078    0.69076   -0.00288   -0.00000    0.00000     -0.00000   -0.00104   -0.00000    0.00047    0.00000
                      -0.00047    0.00000   -0.00104   -0.00000    0.00001     -0.00000    0.00797   -0.00000    0.00000   -0.00000
  26     3388.78      -0.01013   -0.00004    0.01015    0.00657   -0.00648      0.00004   -0.37206    0.57171   -0.56962    0.36998
                       0.01022   -0.01128    0.00001   -0.00551   -0.00001     -0.00000    0.00147    0.00000    0.00141   -0.00000
                       0.00143    0.00001   -0.00147    0.00000    0.00274     -0.00001   -0.00001    0.00026    0.00000   -0.00001
  27     3396.68      -0.00354    0.01369   -0.00337   -0.01499   -0.01498      0.00346    0.52057   -0.43578   -0.43901    0.52103
                       0.01813    0.01757   -0.00375   -0.00001   -0.00000      0.00000   -0.00153   -0.00000    0.00313    0.00000
                      -0.00312    0.00000   -0.00154    0.00001   -0.00000     -0.00000   -0.00139    0.00000    0.00000    0.00000
  28     3410.96      -0.05589   -0.00006    0.05583   -0.01700    0.01698      0.00003    0.54721    0.35862   -0.35712   -0.54753
                      -0.17252    0.17239   -0.00001   -0.00142   -0.00000     -0.00000    0.00172   -0.00000    0.00395   -0.00000
                       0.00397    0.00000   -0.00171   -0.00000   -0.00391     -0.00002   -0.00002   -0.00213    0.00000   -0.00002
  29     3414.09       0.01448    0.00001   -0.01450   -0.00264    0.00260      0.00004   -0.15122   -0.08592    0.08572    0.15218
                      -0.64799    0.64805   -0.00000    0.00009   -0.00000     -0.00000    0.00084    0.00000   -0.00091   -0.00000
                      -0.00092   -0.00000   -0.00084   -0.00000    0.00269      0.00000    0.00001   -0.00545   -0.00000    0.00000
  30     3420.29      -0.06366   -0.03904   -0.06374   -0.02023   -0.02026      0.00723    0.43319    0.51714    0.51778    0.43372
                       0.01128    0.01060   -0.00501   -0.00000   -0.00000      0.00000    0.00187   -0.00000   -0.00066   -0.00000
                       0.00064   -0.00000    0.00187    0.00001    0.00000      0.00000   -0.00145    0.00000   -0.00000    0.00000


 frequencies and the m matrix (ted)

   1      221.96       0.00000    0.00000   -0.00000   -0.00000   -0.00000     -0.00000    0.00000    0.00000   -0.00000   -0.00000
                      -0.00000    0.00000    0.00000    0.00000    0.00000      0.44364   -0.00000   -0.01198    0.00000   -0.00200
                       0.00000   -0.00200   -0.00000   -0.01198    0.00000      0.58359   -0.00000    0.00000    0.00074   -0.00000
   2      369.14       0.00952    0.00000    0.00952    0.02003    0.02005      0.00000   -0.00001    0.00001    0.00001   -0.00001
                       0.00013    0.00013    0.00000    0.01247    0.00000     -0.00000    0.00480   -0.00000   -0.00011   -0.00000
                      -0.00011   -0.00000    0.00480   -0.00000    0.84723      0.00000    0.00000    0.07151   -0.00000    0.00000
   3      512.96       0.00000    0.00000    0.00000   -0.00000    0.00000     -0.00000    0.00000   -0.00000   -0.00000    0.00000
                      -0.00000    0.00000    0.00000    0.00000    0.91498      0.00000    0.00000    0.01125    0.00000   -0.02050
                      -0.00000   -0.02050    0.00000    0.01125    0.00000     -0.00000   -0.00000    0.00000    0.00000    0.10352
   4      641.29       0.00000    0.00000   -0.00000    0.00000    0.00000      0.00000   -0.00000    0.00000   -0.00000    0.00000
                       0.00000    0.00000    0.00000    0.00000    0.00000      0.56298    0.00000    0.01824   -0.00000    0.07410
                       0.00000    0.07412    0.00000    0.01825    0.00000      0.25103    0.00000    0.00000    0.00129    0.00000
   5      706.63       0.01402    0.02347    0.01403    0.08759    0.08756      0.16366   -0.00010    0.00004    0.00004   -0.00010
                       0.00030    0.00030    0.58490    0.00000    0.00000      0.00000    0.00956    0.00000   -0.00001    0.00000
                      -0.00002    0.00000    0.00955    0.00001    0.00000      0.00000    0.00519    0.00000    0.00000    0.00000
   6      715.96       0.00000    0.00000    0.00000    0.00000    0.00000      0.00000   -0.00000   -0.00000    0.00000   -0.00000
                       0.00000    0.00000    0.00001    0.00000    0.23782      0.00000    0.00000    0.25434   -0.00000    0.06476
                      -0.00000    0.06474    0.00000    0.25430    0.00000      0.00000    0.00000    0.00000    0.00000    0.12401
   7      790.59       0.00000    0.00000    0.00000    0.00000    0.00000     -0.00000    0.00000   -0.00000    0.00000    0.00000
                       0.00000   -0.00000    0.00000    0.00000    0.00000      0.08969   -0.00000    0.21880    0.00000    0.15436
                       0.00000    0.15432   -0.00000    0.21878    0.00000      0.16196    0.00000    0.00000    0.00209    0.00000
   8      797.39      -0.00000    0.00000   -0.00000    0.00000    0.00000     -0.00000   -0.00000   -0.00000    0.00000   -0.00000
                      -0.00000   -0.00000    0.00000   -0.00000    0.02710      0.00000    0.00000    0.06434    0.00000    0.03630
                      -0.00000    0.03633   -0.00000    0.06440    0.00000      0.00000    0.00000    0.00000   -0.00000    0.77154
   9      856.72       0.00090    0.00000    0.00090    0.12652    0.12649      0.00000   -0.00007    0.00016    0.00016   -0.00007
                       0.00001    0.00001    0.00000    0.72394    0.00000     -0.00000    0.00565    0.00000    0.00357    0.00000
                       0.00356    0.00000    0.00565    0.00000   -0.00625     -0.00000    0.00000    0.00886    0.00000    0.00000
  10      906.48       0.00000    0.00000    0.00000    0.00000    0.00000      0.00000    0.00000    0.00000    0.00000   -0.00000
                      -0.00000   -0.00000   -0.00000   -0.00000   -0.00000      0.00322    0.00000    0.01525    0.00000    0.02061
                       0.00000    0.02059   -0.00000    0.01524   -0.00000      0.00299    0.00000    0.00000    0.92211    0.00000
  11      925.75       0.00000    0.00000   -0.00000    0.00000    0.00000     -0.00000   -0.00000    0.00000    0.00000   -0.00000
                      -0.00000    0.00000    0.00000    0.00000   -0.00000     -0.09951    0.00000    0.25962    0.00000    0.25284
                       0.00000    0.25307    0.00000    0.25978    0.00000      0.00043   -0.00000    0.00000    0.07377    0.00000
  12      929.95      -0.00000    0.00000   -0.00000    0.00000    0.00000      0.00000    0.00000   -0.00000    0.00000    0.00000
                      -0.00000   -0.00000    0.00000    0.00000   -0.17990     -0.00000    0.00000    0.17013    0.00000    0.41954
                       0.00000    0.41932    0.00000    0.16998   -0.00000      0.00000    0.00000    0.00000    0.00000    0.00093
  13      957.56       0.00026    0.00357    0.00026    0.28751    0.28759      0.02218    0.00086   -0.00005   -0.00005    0.00086
                       0.00007    0.00007    0.27664    0.00000   -0.00000     -0.00000    0.01709    0.00000    0.04196    0.00000
                       0.04196    0.00000    0.01710    0.00000    0.00000      0.00000    0.00213    0.00000    0.00000   -0.00000
  14     1038.17       0.00969    0.00000    0.00958    0.11312    0.11267      0.00000    0.00038   -0.00002   -0.00002    0.00038
                      -0.00018   -0.00018    0.00000    0.11373   -0.00000     -0.00000    0.01657    0.00000    0.00515    0.00000
                       0.00526    0.00000    0.01669    0.00000   -0.00412     -0.00000   -0.00000    0.60131    0.00000    0.00000
  15     1048.73       0.01984    0.77502    0.01996    0.02060    0.02101      0.01121    0.00056    0.00133    0.00133    0.00056
                       0.00003    0.00003   -0.00358    0.00000   -0.00000     -0.00000    0.01412   -0.00000    0.05149    0.00000
                       0.05137    0.00000    0.01398    0.00000   -0.00000     -0.00000    0.00113    0.00000    0.00000    0.00000
  16     1187.86       0.13628   -0.00000    0.13287   -0.00012   -0.00010      0.00000    0.00036    0.00003    0.00003    0.00036
                       0.00001    0.00001   -0.00000    0.01063    0.00000     -0.00000    0.19241    0.00000    0.16779    0.00000
                       0.16184    0.00000    0.18551    0.00000    0.00519      0.00000    0.00000    0.00689    0.00000   -0.00000
  17     1194.30       0.07356   -0.00030    0.07692    0.00200    0.00197      0.02114    0.00004    0.00027    0.00027    0.00005
                       0.00006    0.00006   -0.00547    0.00000   -0.00000     -0.00000    0.22193    0.00000    0.18485    0.00000
                       0.19084    0.00000    0.22885    0.00000    0.00000      0.00000    0.00298    0.00000    0.00000    0.00000
  18     1368.82      -0.00011    0.00000   -0.00010    0.08611    0.08618      0.00000    0.00018    0.00000    0.00000    0.00018
                      -0.00027   -0.00027    0.00000    0.01903   -0.00000     -0.00000    0.14571    0.00000    0.08570    0.00000
                       0.08553    0.00000    0.14560    0.00000    0.11098      0.00000    0.00000    0.23555    0.00000    0.00000
  19     1461.67       0.00528    0.00000    0.00534    0.15431    0.15410      0.00000    0.00040    0.00004    0.00004    0.00040
                      -0.00008   -0.00008    0.00000    0.09436   -0.00000      0.00000    0.10298    0.00000    0.13776    0.00000
                       0.13738    0.00000    0.10269    0.00000    0.03156      0.00000    0.00000    0.07353   -0.00000    0.00000
  20     1483.43       0.01715    0.10252    0.01719    0.00091    0.00090      0.13222   -0.00003    0.00095    0.00095   -0.00003
                       0.00044    0.00044    0.05265    0.00000   -0.00000     -0.00000    0.12468    0.00000    0.14071    0.00000
                       0.14094    0.00000    0.12491   -0.00000    0.00000      0.00000    0.14253    0.00000    0.00000    0.00000
  21     1564.34       0.10919    0.08185    0.10916    0.02990    0.03005      0.10136    0.00106    0.00003    0.00003    0.00106
                       0.00020    0.00020    0.00348    0.00000   -0.00000      0.00000    0.02306    0.00000    0.07205    0.00000
                       0.07236   -0.00000    0.02322    0.00000    0.00000     -0.00000    0.34175    0.00000    0.00000    0.00000
  22     1637.89       0.24693    0.01184    0.24728    0.01529    0.01532      0.00433    0.00070    0.00073    0.00073    0.00070
                      -0.00008   -0.00008    0.03041    0.00000    0.00000      0.00000    0.06028    0.00000    0.00550    0.00000
                       0.00554    0.00000    0.06033    0.00000    0.00000      0.00000    0.29427    0.00000   -0.00000    0.00000
  23     1691.30       0.33687   -0.00000    0.33660   -0.00027   -0.00026      0.00000    0.00144    0.00200    0.00200    0.00144
                      -0.00001   -0.00001    0.00000    0.02489   -0.00000      0.00000    0.03543    0.00000    0.10315    0.00000
                       0.10311    0.00000    0.03539    0.00000    0.01497      0.00000    0.00000    0.00325   -0.00000   -0.00000
  24     1781.67       0.01353   -0.00062    0.01343    0.05507    0.05506      0.53817   -0.00001    0.00003    0.00003   -0.00001
                       0.00142    0.00142    0.06026    0.00000    0.00000     -0.00000    0.02559    0.00000    0.00010    0.00000
                       0.00009    0.00000    0.02558    0.00000    0.00000      0.00000    0.21086    0.00000   -0.00000    0.00000
  25     3330.25       0.00001    0.00000    0.00001    0.00000    0.00000      0.00572    0.00044    0.00002    0.00001    0.00042
                       0.49711    0.49710    0.00001    0.00000    0.00000     -0.00000   -0.00000   -0.00000    0.00000    0.00000
                       0.00000   -0.00000   -0.00000   -0.00000    0.00000      0.00000   -0.00085    0.00000    0.00000    0.00000
  26     3388.78       0.00012    0.00000    0.00012    0.00013    0.00013      0.00000    0.14897    0.35222    0.34965    0.14730
                       0.00011    0.00014    0.00000    0.00094    0.00000      0.00000    0.00004   -0.00000    0.00001   -0.00000
                       0.00001    0.00000    0.00004   -0.00000    0.00007      0.00000   -0.00000   -0.00000    0.00000    0.00000
  27     3396.68       0.00002    0.00062    0.00002    0.00041    0.00041      0.00000    0.29217    0.20459    0.20764    0.29267
                       0.00034    0.00032    0.00047    0.00000    0.00000      0.00000    0.00003   -0.00000    0.00013   -0.00000
                       0.00013    0.00000    0.00003   -0.00000    0.00000     -0.00000    0.00001   -0.00000    0.00000    0.00000
  28     3410.96       0.00309    0.00000    0.00309    0.00048    0.00048      0.00000    0.32414    0.13944    0.13828    0.32451
                       0.03304    0.03299   -0.00000    0.00001   -0.00000      0.00000    0.00004   -0.00000    0.00019   -0.00000
                       0.00019   -0.00000    0.00004   -0.00000    0.00008      0.00000    0.00000   -0.00008    0.00000    0.00000
  29     3414.09       0.00021    0.00000    0.00021   -0.00002   -0.00002      0.00000    0.02471    0.00800    0.00797    0.02502
                       0.46719    0.46727    0.00000   -0.00000    0.00000     -0.00000   -0.00000   -0.00000    0.00001    0.00000
                       0.00001   -0.00000   -0.00000    0.00000    0.00029      0.00000    0.00000   -0.00084    0.00000    0.00000
  30     3420.29       0.00363    0.00203    0.00364    0.00044    0.00044      0.00001    0.20382    0.29018    0.29091    0.20432
                       0.00013    0.00011    0.00023   -0.00000   -0.00000      0.00000    0.00005   -0.00000    0.00000   -0.00000
                       0.00000   -0.00000    0.00005    0.00000   -0.00000      0.00000    0.00001   -0.00000    0.00000    0.00000

          cartesian frequencies

                1         2         3         4         5         6         7         8

     freq     -0.00     -0.00     -0.00      0.00      0.00      0.00    221.98    369.17
 
      C x   0.14017   0.09248  -0.32686   0.04579   0.14638   0.05847  -0.00174  -0.30754
      C y  -0.19869  -0.24178  -0.16065  -0.22020   0.24043  -0.03657  -0.00406  -0.10700
      C z   0.36157  -0.50690  -0.02175   0.15004  -0.10532  -0.05806   0.36523  -0.00287
      C x   0.35235   0.22795  -0.12233  -0.00614   0.14914  -0.00668   0.00128   0.03197
      C y  -0.21530  -0.25355  -0.17917  -0.21689   0.23765  -0.03473   0.00293  -0.16832
      C z   0.28928  -0.45016   0.13015   0.23370   0.11959   0.25131  -0.27309  -0.00160
      C x   0.44647   0.28529  -0.03326  -0.02933   0.14928  -0.03411   0.00125   0.14482
      C y   0.00154  -0.12147   0.02599  -0.27032   0.23797  -0.09792   0.00294   0.09160
      C z  -0.06149  -0.04851   0.24072   0.38151   0.44178   0.17476  -0.27309   0.00158
      C x   0.28974   0.18361  -0.18533   0.00894   0.14661   0.01487  -0.00175  -0.13185
      C y   0.14588  -0.03189   0.16537  -0.30511   0.24094  -0.13700  -0.00407   0.29775
      C z  -0.19583   0.13135   0.15397   0.38492   0.40665  -0.17971   0.36523   0.00286
      C x   0.08701   0.05569  -0.37983   0.05864   0.14457   0.07631  -0.00203  -0.31987
      C y   0.02942  -0.10165   0.05718  -0.27586   0.24272  -0.10093  -0.00469   0.13885
      C z   0.06135  -0.14505  -0.01670   0.23964   0.06043  -0.34922   0.41942   0.00002
      C x  -0.10682  -0.06919  -0.56736   0.10601   0.14160   0.13643   0.00216   0.43614
      C y   0.11400  -0.04832   0.14028  -0.29586   0.24586  -0.12230   0.00503  -0.18935
      C z   0.02872  -0.08031  -0.14218   0.19745  -0.07630  -0.69828  -0.43427  -0.00002
      H x   0.00774   0.00627  -0.12614   0.02134   0.04218   0.02679  -0.00064  -0.15068
      H y  -0.09461  -0.09249  -0.08137  -0.05463   0.06984   0.00043  -0.00150  -0.09979
      H z   0.17229  -0.22220  -0.03748   0.01096  -0.10468  -0.02703   0.13440  -0.00190
      H x   0.12763   0.08287  -0.01054  -0.00799   0.04376  -0.01005   0.00093   0.04481
      H y  -0.10434  -0.09937  -0.09218  -0.05268   0.06825   0.00155   0.00216  -0.10702
      H z   0.13192  -0.19071   0.04830   0.05807   0.02209   0.14815  -0.19621  -0.00093
      H x   0.17740   0.11319   0.03655  -0.02026   0.04383  -0.02455   0.00094   0.10878
      H y   0.01031  -0.02953   0.01629  -0.08093   0.06842  -0.03186   0.00217   0.04035
      H z  -0.05354   0.02165   0.10676   0.13622   0.19244   0.10768  -0.19622   0.00095
      H x   0.08859   0.05553  -0.04964   0.00142   0.04230   0.00323  -0.00065  -0.02999
      H y   0.09164   0.02096   0.09486  -0.10052   0.07012  -0.05385  -0.00150   0.17824
      H z  -0.12901   0.12280   0.05750   0.13792   0.17207  -0.09278   0.13440   0.00197
      H x  -0.07125  -0.04542  -0.20305   0.04061   0.04066   0.05172   0.00114   0.36395
      H y   0.00433  -0.03127   0.01386  -0.07856   0.07157  -0.02668   0.00265   0.11019
      H z   0.06734  -0.08754  -0.07620   0.02560  -0.09644  -0.23077  -0.23052   0.00300
      H x  -0.03747  -0.02483  -0.17108   0.03228   0.04071   0.04187   0.00114   0.16804
      H y   0.08216   0.01614   0.08751  -0.09774   0.07168  -0.04937   0.00264  -0.34116
      H z  -0.05857   0.05662  -0.03651   0.07865   0.01920  -0.25824  -0.23052  -0.00302

                9        10        11        12        13        14        15        16

     freq    513.00    641.34    706.69    716.02    790.66    797.45    856.79    906.55
 
      C x   0.00169  -0.00143  -0.07097   0.00036   0.00149  -0.00143  -0.00155   0.00018
      C y   0.00373  -0.00286   0.24831  -0.00035   0.00358  -0.00300  -0.31424   0.00052
      C z  -0.34207   0.27592   0.00214  -0.04423  -0.31217   0.27545  -0.00355  -0.04604
      C x  -0.00197   0.00097   0.07849   0.00169   0.00047  -0.00028  -0.48481  -0.00034
      C y  -0.00453   0.00225   0.29674   0.00297   0.00108  -0.00038  -0.25086  -0.00069
      C z   0.41858  -0.18720   0.00239  -0.36754  -0.09223   0.03656  -0.00521   0.06232
      C x   0.00192   0.00097   0.16315  -0.00235   0.00052   0.00030  -0.14786  -0.00026
      C y   0.00449   0.00217   0.25994  -0.00520   0.00107   0.00041   0.52552  -0.00071
      C z  -0.41858  -0.18723   0.00513   0.36750  -0.09223  -0.03658   0.00521   0.06230
      C x  -0.00155  -0.00113   0.22986  -0.00116   0.00146   0.00132   0.22855   0.00022
      C y  -0.00386  -0.00296   0.11766  -0.00099   0.00344   0.00319   0.21569   0.00053
      C z   0.34207   0.27592   0.00263   0.04422  -0.31212  -0.27552   0.00352  -0.04602
      C x   0.00008   0.00292  -0.15807   0.00049  -0.00223   0.00007   0.29463   0.00087
      C y   0.00005   0.00673  -0.36415   0.00150  -0.00522  -0.00014  -0.12790   0.00192
      C z  -0.00000  -0.61833  -0.00440   0.00001   0.45122   0.00006  -0.00000  -0.17137
      C x  -0.00013  -0.00038  -0.24700   0.00097   0.00015   0.00004   0.09869  -0.00231
      C y   0.00011  -0.00089  -0.56891   0.00216   0.00035  -0.00009  -0.04283  -0.00545
      C z   0.00000   0.04324  -0.00767   0.00003  -0.03242  -0.00001  -0.00002   0.47891
      H x  -0.00012  -0.00178   0.05299  -0.00277  -0.00163   0.00082   0.08700  -0.00055
      H y  -0.00038  -0.00412   0.15156  -0.00649  -0.00387   0.00205   0.00806  -0.00130
      H z   0.03270   0.37860   0.00370   0.52667   0.35207  -0.18042   0.00074   0.11725
      H x  -0.00179  -0.00099   0.05535  -0.00086  -0.00194   0.00099  -0.09734   0.00061
      H y  -0.00399  -0.00227   0.03477  -0.00171  -0.00447   0.00223  -0.14403   0.00137
      H z   0.36615   0.20859   0.00107   0.14491   0.40151  -0.20288  -0.00193  -0.12509
      H x   0.00168  -0.00098  -0.01234   0.00071  -0.00185  -0.00094   0.03867   0.00061
      H y   0.00403  -0.00231   0.06421   0.00132  -0.00445  -0.00228   0.16947   0.00138
      H z  -0.36615   0.20861  -0.00015  -0.14488   0.40145   0.20297   0.00195  -0.12503
      H x   0.00020  -0.00179   0.07454   0.00229  -0.00176  -0.00089   0.05354  -0.00058
      H y   0.00030  -0.00411   0.14219   0.00532  -0.00387  -0.00194  -0.06909  -0.00129
      H z  -0.03270   0.37863  -0.00041  -0.52664   0.35206   0.18050  -0.00065   0.11721
      H x   0.00126  -0.00056  -0.08236   0.00164   0.00035   0.00284  -0.05417   0.00282
      H y   0.00306  -0.00126  -0.17623   0.00360   0.00089   0.00663  -0.07101   0.00655
      H z  -0.26938   0.09892  -0.00339  -0.25402  -0.08067  -0.59073  -0.00109  -0.57895
      H x  -0.00137  -0.00054  -0.07252  -0.00095   0.00039  -0.00291   0.01490   0.00284
      H y  -0.00299  -0.00122  -0.18057  -0.00228   0.00096  -0.00664   0.08805   0.00665
      H z   0.26938   0.09891  -0.00158   0.25405  -0.08081   0.59071   0.00115  -0.57894

               17        18        19        20        21        22        23        24

     freq    925.82    930.02    957.64   1038.26   1048.82   1187.95   1194.40   1368.93
 
      C x   0.00105   0.00046  -0.57357  -0.28707   0.19951  -0.08699  -0.00835   0.06918
      C y   0.00220   0.00209   0.10706   0.11968  -0.13332   0.24393  -0.08859  -0.12744
      C z  -0.18968  -0.18666  -0.00147  -0.00014  -0.00048   0.00229  -0.00101  -0.00107
      C x  -0.00116  -0.00128   0.08165   0.09513   0.54385   0.01768   0.08430   0.04795
      C y  -0.00248  -0.00311   0.06249   0.01250  -0.05322  -0.12807   0.16783  -0.13129
      C z   0.22269   0.28514   0.00091   0.00063   0.00203  -0.00131   0.00228  -0.00125
      C x  -0.00093   0.00122  -0.01009   0.05756  -0.41001   0.10451   0.06677   0.12836
      C y  -0.00261   0.00335   0.10225  -0.07948   0.36057   0.07151   0.17739   0.05476
      C z   0.22280  -0.28507   0.00144  -0.00076   0.00205   0.00124   0.00231   0.00125
      C x   0.00063  -0.00033   0.46990  -0.28238  -0.23485  -0.23664  -0.06303   0.14044
      C y   0.00228  -0.00247  -0.34592   0.12769   0.05523  -0.10185  -0.06826   0.03635
      C z  -0.18975   0.18658  -0.00191   0.00031  -0.00059  -0.00215  -0.00108   0.00105
      C x   0.00013  -0.00005   0.01816   0.19052  -0.00010   0.00712   0.01668  -0.53309
      C y   0.00014   0.00015   0.04189  -0.08273  -0.00138  -0.00345   0.03812   0.23143
      C z  -0.02353   0.00002   0.00057   0.00002  -0.00001  -0.00006   0.00054   0.00002
      C x   0.00074  -0.00005   0.06326   0.34448  -0.03728  -0.04453  -0.04350   0.22747
      C y   0.00148   0.00015   0.14588  -0.14929  -0.08774   0.02038  -0.09918  -0.09879
      C z  -0.13826  -0.00005   0.00189  -0.00002  -0.00117   0.00003  -0.00135  -0.00001
      H x  -0.00191  -0.00175  -0.25847  -0.16756  -0.04005   0.25658  -0.31547   0.26719
      H y  -0.00472  -0.00377  -0.06317  -0.05292  -0.15857   0.39221  -0.37815   0.23222
      H z   0.43297   0.33168  -0.00213  -0.00145  -0.00195   0.00551  -0.00566   0.00384
      H x   0.00208   0.00269   0.15261   0.07258   0.27575   0.22170  -0.18859  -0.14720
      H y   0.00482   0.00563  -0.19271  -0.07050  -0.18674  -0.38909   0.40093   0.22043
      H z  -0.43475  -0.52330  -0.00110  -0.00045  -0.00076  -0.00320   0.00347   0.00176
      H x   0.00221  -0.00277  -0.24500   0.10227  -0.32432   0.42846   0.42901  -0.26134
      H y   0.00483  -0.00582  -0.02012  -0.00520   0.07388   0.10143   0.13774  -0.04289
      H z  -0.43494   0.52316  -0.00206   0.00063  -0.00082   0.00316   0.00351  -0.00173
      H x  -0.00221   0.00179   0.13034  -0.07536  -0.08882  -0.11028  -0.06269   0.01286
      H y  -0.00462   0.00337  -0.23201   0.15910  -0.13685  -0.44702  -0.49625  -0.35367
      H z   0.43310  -0.33154  -0.00137   0.00109  -0.00175  -0.00557  -0.00572  -0.00383
      H x  -0.00093   0.00006   0.03207  -0.35947  -0.02272   0.03333  -0.03296  -0.16997
      H y  -0.00201   0.00002   0.05502  -0.36268  -0.03607   0.03913  -0.04671  -0.18817
      H z   0.16696   0.00912   0.00088  -0.00578  -0.00060   0.00058  -0.00071  -0.00299
      H x  -0.00082   0.00005   0.01829   0.01953  -0.01075  -0.00561  -0.01171   0.02137
      H y  -0.00177   0.00004   0.06083   0.51037  -0.03919  -0.05017  -0.05682   0.25278
      H z   0.16697  -0.00900   0.00083   0.00579  -0.00044  -0.00057  -0.00069   0.00300

               25        26        27        28        29        30        31        32

     freq   1461.78   1483.55   1564.47   1638.03   1691.44   1781.81   3330.52   3389.06
 
      C x   0.37904   0.19949   0.13088  -0.11081  -0.08448   0.09370   0.00328   0.08367
      C y   0.13014   0.15619  -0.16611  -0.41435  -0.40081   0.16442  -0.00480  -0.06862
      C z   0.00331   0.00267  -0.00118  -0.00508  -0.00482   0.00226  -0.00004  -0.00038
      C x  -0.18486  -0.30465  -0.18496  -0.03350   0.02189   0.01053   0.00004  -0.14193
      C y   0.04660   0.05116   0.33561   0.34072   0.49094  -0.05729   0.00025  -0.09197
      C z  -0.00036  -0.00090   0.00279   0.00356   0.00548  -0.00056   0.00000  -0.00170
      C x  -0.15977   0.24548   0.37175   0.27199  -0.34359  -0.04867   0.00012  -0.02958
      C y   0.10329  -0.18769   0.09398   0.20843  -0.35112  -0.03115   0.00045   0.16589
      C z   0.00038  -0.00090   0.00277   0.00358  -0.00546  -0.00059   0.00001   0.00170
      C x   0.16351  -0.02203  -0.21092  -0.22711   0.23500   0.05593  -0.00562   0.10664
      C y  -0.36564   0.25259  -0.01735  -0.36416   0.33533   0.18052  -0.00090  -0.01419
      C z  -0.00330   0.00270  -0.00110  -0.00510   0.00475   0.00233  -0.00004   0.00037
      C x  -0.40896   0.12245  -0.14648   0.04333  -0.06147  -0.26467  -0.00945  -0.00423
      C y   0.17724   0.28226  -0.33797   0.09991   0.02635  -0.60977  -0.02175   0.00183
      C z  -0.00003   0.00380  -0.00456   0.00131   0.00005  -0.00821  -0.00029   0.00001
      C x   0.11565  -0.05670   0.01499   0.08390   0.04240   0.21724   0.09032  -0.00404
      C y  -0.05012  -0.13067   0.03464   0.19332  -0.01804   0.50053   0.20807   0.00157
      C z   0.00001  -0.00178   0.00046   0.00261  -0.00001   0.00677   0.00281  -0.00000
      H x  -0.12566  -0.19389  -0.03314   0.16841   0.14324  -0.07943  -0.01412  -0.27709
      H y  -0.23411  -0.22989  -0.14857   0.08767   0.04300  -0.07282   0.01451   0.24613
      H z  -0.00321  -0.00345  -0.00177   0.00181   0.00118  -0.00120   0.00010   0.00145
      H x   0.13868   0.10267   0.11491   0.07057   0.20828  -0.01154   0.00309   0.48259
      H y  -0.29745  -0.31488  -0.16767  -0.00606  -0.14468   0.00047   0.00265   0.30231
      H z  -0.00258  -0.00295  -0.00129   0.00025  -0.00062  -0.00006   0.00004   0.00570
      H x   0.31160  -0.30043  -0.20144  -0.05282   0.24788   0.00781  -0.00001   0.10828
      H y   0.10171  -0.14009  -0.03069   0.04749  -0.05333  -0.00810   0.00321  -0.55695
      H z   0.00256  -0.00296  -0.00129   0.00027   0.00061  -0.00005   0.00004  -0.00569
      H x   0.08509  -0.03556  -0.08601  -0.05101   0.06637   0.00097   0.01981  -0.36695
      H y   0.25129  -0.29891  -0.12611   0.18295  -0.13391  -0.10773  -0.00036   0.03416
      H z   0.00322  -0.00349  -0.00190   0.00180  -0.00114  -0.00129   0.00009  -0.00143
      H x  -0.09042  -0.21385   0.33242  -0.31035  -0.01619  -0.27217   0.40228   0.00570
      H y  -0.09807  -0.19171   0.25415  -0.18165  -0.02436  -0.07193  -0.55830  -0.00844
      H z  -0.00162  -0.00320   0.00454  -0.00360  -0.00033  -0.00215  -0.00436  -0.00006
      H x   0.00987   0.00599  -0.04135   0.07924   0.00691   0.13329  -0.68255   0.01111
      H y   0.13341  -0.28707   0.41629  -0.35077   0.02808  -0.24802  -0.08738   0.00174
      H z   0.00162  -0.00327   0.00452  -0.00359   0.00032  -0.00217  -0.00435   0.00007

               33        34        35        36

     freq   3396.95   3411.24   3414.37   3420.57
 
      C x  -0.11775  -0.12077  -0.03192  -0.09745
      C y   0.10066   0.12159   0.03353   0.10237
      C z   0.00057   0.00077   0.00022   0.00068
      C x   0.11225  -0.08897  -0.02109  -0.13836
      C y   0.06272  -0.07333  -0.01783  -0.09248
      C z   0.00124  -0.00124  -0.00030  -0.00170
      C x  -0.03098  -0.00707  -0.00135   0.02694
      C y   0.12580   0.11462   0.02753  -0.16443
      C z   0.00125   0.00124   0.00030  -0.00170
      C x   0.15404  -0.17137  -0.04658   0.14151
      C y  -0.01733   0.00521   0.00045  -0.00129
      C z   0.00056  -0.00078  -0.00022   0.00067
      C x   0.00208   0.00960  -0.00161   0.00275
      C y   0.00479  -0.00416   0.00068   0.00637
      C z   0.00007   0.00001   0.00000   0.00008
      C x   0.00193   0.07579  -0.29081   0.00065
      C y   0.00480  -0.03292   0.12624   0.00193
      C z   0.00006  -0.00001   0.00000   0.00003
      H x   0.38722   0.40412   0.11283   0.31947
      H y  -0.34489  -0.36579  -0.09980  -0.29007
      H z  -0.00203  -0.00218  -0.00058  -0.00174
      H x  -0.37076   0.30059   0.07204   0.43786
      H y  -0.22575   0.19305   0.04621   0.27130
      H z  -0.00431   0.00361   0.00087   0.00514
      H x   0.08888   0.06392   0.01539  -0.10093
      H y  -0.42817  -0.34996  -0.08399   0.50577
      H z  -0.00435  -0.00360  -0.00086   0.00516
      H x  -0.51683   0.54350   0.15091  -0.43059
      H y   0.04741  -0.04546  -0.01436   0.03534
      H z  -0.00202   0.00217   0.00059  -0.00172
      H x   0.00907  -0.09750   0.36749   0.00511
      H y  -0.01570   0.14152  -0.53064  -0.01015
      H z  -0.00013   0.00114  -0.00422  -0.00009
      H x  -0.01711  -0.16983   0.63866  -0.01023
      H y  -0.00401  -0.02544   0.09390  -0.00310
      H z  -0.00013  -0.00114   0.00420  -0.00009

############################################################

 -- > start of molden input
 [Molden Format]
 [FREQ]
     -0.00
     -0.00
     -0.00
      0.00
      0.00
      0.00
    221.98
    369.17
    513.00
    641.34
    706.69
    716.02
    790.66
    797.45
    856.79
    906.55
    925.82
    930.02
    957.64
   1038.26
   1048.82
   1187.95
   1194.40
   1368.93
   1461.78
   1483.55
   1564.47
   1638.03
   1691.44
   1781.81
   3330.52
   3389.06
   3396.95
   3411.24
   3414.37
   3420.57
 [FR-COORD]
   C   -10.766749     4.065395     0.012672
   C   -10.976313     1.514037    -0.016229
   C    -8.410945     0.400438    -0.016264
   C    -6.690235     2.295828     0.012621
   C    -8.058738     4.723504     0.033194
   C    -7.043769     7.061668     0.064821
   H   -12.274906     5.419175     0.020699
   H   -12.697757     0.443432    -0.036496
   H    -8.017490    -1.588220    -0.036567
   H    -4.671365     2.118570     0.020608
   H    -8.209624     8.725331     0.077975
   H    -5.032274     7.346075     0.077934
 [FR-NORM-COORD]
 vibration                       1
     0.05563    -0.07885     0.14348
     0.13983    -0.08544     0.11480
     0.17718     0.00061    -0.02440
     0.11498     0.05789    -0.07771
     0.03453     0.01167     0.02434
    -0.04239     0.04524     0.01140
     0.01060    -0.12955     0.23592
     0.17477    -0.14287     0.18064
     0.24291     0.01412    -0.07331
     0.12130     0.12549    -0.17666
    -0.09757     0.00593     0.09221
    -0.05130     0.11251    -0.08020
 vibration                       2
     0.03670    -0.09595    -0.20115
     0.09046    -0.10062    -0.17864
     0.11321    -0.04820    -0.01925
     0.07286    -0.01265     0.05212
     0.02210    -0.04034    -0.05756
    -0.02746    -0.01918    -0.03187
     0.00859    -0.12666    -0.30426
     0.11348    -0.13606    -0.26115
     0.15499    -0.04044     0.02964
     0.07603     0.02870     0.16816
    -0.06219    -0.04282    -0.11987
    -0.03401     0.02210     0.07754
 vibration                       3
    -0.12971    -0.06375    -0.00863
    -0.04854    -0.07110     0.05165
    -0.01320     0.01032     0.09553
    -0.07355     0.06562     0.06110
    -0.15073     0.02269    -0.00663
    -0.22515     0.05567    -0.05642
    -0.17273    -0.11142    -0.05132
    -0.01443    -0.12623     0.06614
     0.05005     0.02231     0.14619
    -0.06797     0.12989     0.07874
    -0.27804     0.01898    -0.10434
    -0.23426     0.11982    -0.04999
 vibration                       4
     0.01817    -0.08738     0.05954
    -0.00244    -0.08607     0.09274
    -0.01164    -0.10727     0.15139
     0.00355    -0.12108     0.15275
     0.02327    -0.10947     0.09510
     0.04207    -0.11741     0.07835
     0.02923    -0.07480     0.01501
    -0.01095    -0.07213     0.07952
    -0.02774    -0.11082     0.18653
     0.00195    -0.13765     0.18886
     0.05560    -0.10758     0.03505
     0.04420    -0.13384     0.10770
 vibration                       5
     0.05809     0.09541    -0.04180
     0.05918     0.09431     0.04746
     0.05924     0.09444     0.17531
     0.05818     0.09561     0.16137
     0.05737     0.09632     0.02398
     0.05619     0.09756    -0.03028
     0.05775     0.09564    -0.14334
     0.05992     0.09346     0.03025
     0.06002     0.09369     0.26352
     0.05792     0.09601     0.23561
     0.05567     0.09800    -0.13206
     0.05574     0.09816     0.02629
 vibration                       6
     0.02320    -0.01451    -0.02304
    -0.00265    -0.01378     0.09973
    -0.01354    -0.03886     0.06935
     0.00590    -0.05436    -0.07132
     0.03028    -0.04005    -0.13858
     0.05414    -0.04853    -0.27710
     0.03669     0.00059    -0.03701
    -0.01376     0.00212     0.20287
    -0.03362    -0.04363     0.14745
     0.00442    -0.07374    -0.12705
     0.07082    -0.03654    -0.31599
     0.05733    -0.06760    -0.35362
 vibration                       7
    -0.00069    -0.00161     0.14494
     0.00051     0.00116    -0.10837
     0.00050     0.00117    -0.10837
    -0.00070    -0.00162     0.14494
    -0.00080    -0.00186     0.16644
     0.00086     0.00200    -0.17233
    -0.00088    -0.00205     0.18404
     0.00127     0.00296    -0.26868
     0.00128     0.00297    -0.26868
    -0.00089    -0.00206     0.18404
     0.00157     0.00363    -0.31565
     0.00156     0.00361    -0.31565
 vibration                       8
    -0.12204    -0.04246    -0.00114
     0.01269    -0.06680    -0.00064
     0.05747     0.03635     0.00063
    -0.05232     0.11816     0.00114
    -0.12694     0.05510     0.00001
     0.17308    -0.07514    -0.00001
    -0.20633    -0.13665    -0.00261
     0.06136    -0.14655    -0.00128
     0.14895     0.05525     0.00130
    -0.04107     0.24407     0.00269
     0.49837     0.15089     0.00411
     0.23010    -0.46717    -0.00414
 vibration                       9
     0.00067     0.00148    -0.13574
    -0.00078    -0.00180     0.16611
     0.00076     0.00178    -0.16611
    -0.00062    -0.00153     0.13574
     0.00003     0.00002    -0.00000
    -0.00005     0.00004     0.00000
    -0.00016    -0.00052     0.04478
    -0.00245    -0.00546     0.50138
     0.00230     0.00552    -0.50138
     0.00027     0.00041    -0.04477
     0.00172     0.00419    -0.36887
    -0.00187    -0.00409     0.36887
 vibration                      10
    -0.00057    -0.00114     0.10949
     0.00039     0.00089    -0.07429
     0.00038     0.00086    -0.07430
    -0.00045    -0.00118     0.10949
     0.00116     0.00267    -0.24537
    -0.00015    -0.00035     0.01716
    -0.00243    -0.00565     0.51843
    -0.00136    -0.00310     0.28562
    -0.00135    -0.00316     0.28566
    -0.00245    -0.00562     0.51847
    -0.00077    -0.00173     0.13545
    -0.00074    -0.00167     0.13544
 vibration                      11
    -0.02816     0.09854     0.00085
     0.03115     0.11775     0.00095
     0.06474     0.10315     0.00204
     0.09122     0.04669     0.00105
    -0.06273    -0.14451    -0.00175
    -0.09802    -0.22576    -0.00305
     0.07257     0.20754     0.00507
     0.07580     0.04761     0.00147
    -0.01690     0.08793    -0.00021
     0.10207     0.19470    -0.00057
    -0.11278    -0.24132    -0.00464
    -0.09931    -0.24725    -0.00217
 vibration                      12
     0.00014    -0.00014    -0.01755
     0.00067     0.00118    -0.14585
    -0.00093    -0.00206     0.14584
    -0.00046    -0.00039     0.01755
     0.00019     0.00059     0.00000
     0.00038     0.00086     0.00001
    -0.00379    -0.00889     0.72118
    -0.00118    -0.00235     0.19843
     0.00097     0.00181    -0.19839
     0.00314     0.00728    -0.72114
     0.00224     0.00493    -0.34784
    -0.00131    -0.00313     0.34788
 vibration                      13
     0.00059     0.00142    -0.12388
     0.00019     0.00043    -0.03660
     0.00021     0.00042    -0.03660
     0.00058     0.00137    -0.12386
    -0.00089    -0.00207     0.17906
     0.00006     0.00014    -0.01287
    -0.00223    -0.00531     0.48210
    -0.00265    -0.00612     0.54980
    -0.00254    -0.00609     0.54972
    -0.00241    -0.00530     0.48209
     0.00048     0.00121    -0.11046
     0.00053     0.00131    -0.11066
 vibration                      14
    -0.00057    -0.00119     0.10931
    -0.00011    -0.00015     0.01451
     0.00012     0.00016    -0.01452
     0.00053     0.00126    -0.10934
     0.00003    -0.00005     0.00002
     0.00002    -0.00004    -0.00000
     0.00113     0.00280    -0.24706
     0.00135     0.00305    -0.27781
    -0.00128    -0.00312     0.27794
    -0.00121    -0.00266     0.24716
     0.00388     0.00907    -0.80890
    -0.00398    -0.00909     0.80888
 vibration                      15
    -0.00061    -0.12470    -0.00141
    -0.19239    -0.09955    -0.00207
    -0.05868     0.20854     0.00207
     0.09070     0.08559     0.00140
     0.11692    -0.05076    -0.00000
     0.03916    -0.01699    -0.00001
     0.11913     0.01104     0.00101
    -0.13329    -0.19722    -0.00264
     0.05295     0.23205     0.00267
     0.07331    -0.09461    -0.00089
    -0.07417    -0.09724    -0.00150
     0.02040     0.12056     0.00157
 vibration                      16
     0.00007     0.00021    -0.01827
    -0.00014    -0.00028     0.02473
    -0.00010    -0.00028     0.02472
     0.00009     0.00021    -0.01826
     0.00034     0.00076    -0.06801
    -0.00092    -0.00216     0.19005
    -0.00076    -0.00177     0.16055
     0.00083     0.00187    -0.17129
     0.00083     0.00189    -0.17121
    -0.00079    -0.00176     0.16050
     0.00387     0.00896    -0.79277
     0.00390     0.00910    -0.79276
 vibration                      17
     0.00042     0.00087    -0.07527
    -0.00046    -0.00099     0.08837
    -0.00037    -0.00103     0.08841
     0.00025     0.00091    -0.07530
     0.00005     0.00005    -0.00934
     0.00029     0.00059    -0.05487
    -0.00262    -0.00646     0.59288
     0.00285     0.00661    -0.59531
     0.00303     0.00661    -0.59557
    -0.00303    -0.00633     0.59305
    -0.00128    -0.00275     0.22863
    -0.00113    -0.00242     0.22864
 vibration                      18
     0.00018     0.00083    -0.07407
    -0.00051    -0.00124     0.11315
     0.00049     0.00133    -0.11312
    -0.00013    -0.00098     0.07404
    -0.00002     0.00006     0.00001
    -0.00002     0.00006    -0.00002
    -0.00239    -0.00517     0.45418
     0.00369     0.00771    -0.71657
    -0.00380    -0.00797     0.71637
     0.00245     0.00461    -0.45398
     0.00009     0.00003     0.01248
     0.00006     0.00005    -0.01233
 vibration                      19
    -0.22761     0.04249    -0.00058
     0.03240     0.02480     0.00036
    -0.00401     0.04058     0.00057
     0.18647    -0.13727    -0.00076
     0.00721     0.01662     0.00023
     0.02510     0.05789     0.00075
    -0.35393    -0.08650    -0.00292
     0.20897    -0.26389    -0.00151
    -0.33548    -0.02756    -0.00282
     0.17848    -0.31770    -0.00187
     0.04392     0.07534     0.00120
     0.02505     0.08329     0.00114
 vibration                      20
    -0.11392     0.04749    -0.00005
     0.03775     0.00496     0.00025
     0.02284    -0.03154    -0.00030
    -0.11206     0.05067     0.00012
     0.07560    -0.03283     0.00001
     0.13670    -0.05924    -0.00001
    -0.22944    -0.07247    -0.00198
     0.09939    -0.09654    -0.00061
     0.14004    -0.00712     0.00086
    -0.10319     0.21786     0.00149
    -0.49224    -0.49663    -0.00791
     0.02674     0.69887     0.00793
 vibration                      21
     0.07917    -0.05291    -0.00019
     0.21582    -0.02112     0.00080
    -0.16271     0.14309     0.00081
    -0.09320     0.02192    -0.00023
    -0.00004    -0.00055    -0.00001
    -0.01479    -0.03482    -0.00046
    -0.05483    -0.21714    -0.00267
     0.37759    -0.25571    -0.00104
    -0.44410     0.10116    -0.00112
    -0.12162    -0.18739    -0.00240
    -0.03112    -0.04939    -0.00082
    -0.01472    -0.05366    -0.00060
 vibration                      22
    -0.03452     0.09680     0.00091
     0.00702    -0.05082    -0.00052
     0.04147     0.02838     0.00049
    -0.09391    -0.04042    -0.00085
     0.00283    -0.00137    -0.00002
    -0.01767     0.00809     0.00001
     0.35134     0.53707     0.00755
     0.30358    -0.53280    -0.00438
     0.58671     0.13889     0.00432
    -0.15101    -0.61212    -0.00762
     0.04563     0.05359     0.00079
    -0.00768    -0.06870    -0.00078
 vibration                      23
    -0.00332    -0.03516    -0.00040
     0.03345     0.06660     0.00090
     0.02649     0.07039     0.00092
    -0.02501    -0.02709    -0.00043
     0.00662     0.01513     0.00021
    -0.01726    -0.03936    -0.00053
    -0.43198    -0.51782    -0.00776
    -0.25824     0.54901     0.00475
     0.58746     0.18861     0.00480
    -0.08584    -0.67953    -0.00783
    -0.04513    -0.06397    -0.00097
    -0.01604    -0.07780    -0.00094
 vibration                      24
     0.02745    -0.05057    -0.00042
     0.01903    -0.05210    -0.00050
     0.05094     0.02173     0.00049
     0.05573     0.01443     0.00042
    -0.21155     0.09184     0.00001
     0.09027    -0.03920    -0.00000
     0.36587     0.31798     0.00525
    -0.20157     0.30184     0.00240
    -0.35785    -0.05873    -0.00237
     0.01760    -0.48429    -0.00524
    -0.23275    -0.25767    -0.00410
     0.02926     0.34614     0.00411
 vibration                      25
     0.15042     0.05165     0.00131
    -0.07336     0.01849    -0.00014
    -0.06340     0.04099     0.00015
     0.06489    -0.14510    -0.00131
    -0.16229     0.07033    -0.00001
     0.04589    -0.01989     0.00000
    -0.17207    -0.32057    -0.00439
     0.18990    -0.40730    -0.00354
     0.42668     0.13927     0.00350
     0.11651     0.34409     0.00441
    -0.12381    -0.13428    -0.00221
     0.01352     0.18268     0.00222
 vibration                      26
     0.07916     0.06198     0.00106
    -0.12089     0.02030    -0.00036
     0.09742    -0.07448    -0.00036
    -0.00874     0.10024     0.00107
     0.04859     0.11201     0.00151
    -0.02250    -0.05185    -0.00070
    -0.26550    -0.31479    -0.00473
     0.14059    -0.43118    -0.00405
    -0.41139    -0.19183    -0.00405
    -0.04869    -0.40930    -0.00478
    -0.29283    -0.26251    -0.00438
     0.00820    -0.39309    -0.00448
 vibration                      27
     0.05194    -0.06592    -0.00047
    -0.07340     0.13318     0.00111
     0.14752     0.03730     0.00110
    -0.08370    -0.00689    -0.00044
    -0.05813    -0.13412    -0.00181
     0.00595     0.01375     0.00018
    -0.04538    -0.20345    -0.00243
     0.15735    -0.22960    -0.00177
    -0.27584    -0.04203    -0.00176
    -0.11777    -0.17268    -0.00260
     0.45520     0.34802     0.00622
    -0.05662     0.57004     0.00619
 vibration                      28
    -0.04397    -0.16443    -0.00202
    -0.01329     0.13521     0.00141
     0.10794     0.08271     0.00142
    -0.09012    -0.14451    -0.00202
     0.01719     0.03965     0.00052
     0.03329     0.07672     0.00104
     0.23061     0.12004     0.00248
     0.09664    -0.00830     0.00035
    -0.07233     0.06502     0.00037
    -0.06985     0.25052     0.00247
    -0.42498    -0.24873    -0.00493
     0.10851    -0.48032    -0.00491
 vibration                      29
    -0.03353    -0.15906    -0.00191
     0.00869     0.19482     0.00217
    -0.13635    -0.13934    -0.00217
     0.09325     0.13307     0.00189
    -0.02439     0.01046     0.00002
     0.01683    -0.00716    -0.00000
     0.19615     0.05889     0.00161
     0.28520    -0.19812    -0.00085
     0.33942    -0.07302     0.00084
     0.09089    -0.18337    -0.00156
    -0.02217    -0.03336    -0.00045
     0.00946     0.03846     0.00044
 vibration                      30
     0.03718     0.06525     0.00090
     0.00418    -0.02273    -0.00022
    -0.01931    -0.01236    -0.00023
     0.02219     0.07164     0.00093
    -0.10503    -0.24198    -0.00326
     0.08621     0.19863     0.00269
    -0.10876    -0.09971    -0.00164
    -0.01580     0.00064    -0.00008
     0.01070    -0.01109    -0.00007
     0.00132    -0.14751    -0.00177
    -0.37270    -0.09849    -0.00294
     0.18251    -0.33962    -0.00297
 vibration                      31
     0.00130    -0.00191    -0.00002
     0.00001     0.00010     0.00000
     0.00005     0.00018     0.00000
    -0.00223    -0.00036    -0.00002
    -0.00375    -0.00863    -0.00012
     0.03584     0.08257     0.00111
    -0.01933     0.01987     0.00013
     0.00423     0.00363     0.00006
    -0.00001     0.00440     0.00005
     0.02712    -0.00050     0.00013
     0.55086    -0.76449    -0.00597
    -0.93464    -0.11965    -0.00595
 vibration                      32
     0.03320    -0.02723    -0.00015
    -0.05632    -0.03650    -0.00067
    -0.01174     0.06583     0.00067
     0.04232    -0.00563     0.00015
    -0.00168     0.00073     0.00000
    -0.00160     0.00062    -0.00000
    -0.37942     0.33703     0.00198
     0.66082     0.41396     0.00781
     0.14827    -0.76264    -0.00779
    -0.50248     0.04678    -0.00196
     0.00780    -0.01156    -0.00009
     0.01521     0.00238     0.00009
 vibration                      33
    -0.04673     0.03995     0.00023
     0.04454     0.02489     0.00049
    -0.01229     0.04992     0.00050
     0.06113    -0.00688     0.00022
     0.00083     0.00190     0.00003
     0.00077     0.00190     0.00002
     0.53024    -0.47227    -0.00278
    -0.50769    -0.30912    -0.00590
     0.12171    -0.58631    -0.00596
    -0.70771     0.06491    -0.00276
     0.01242    -0.02150    -0.00018
    -0.02343    -0.00549    -0.00018
 vibration                      34
    -0.04792     0.04825     0.00031
    -0.03531    -0.02910    -0.00049
    -0.00281     0.04549     0.00049
    -0.06800     0.00207    -0.00031
     0.00381    -0.00165     0.00000
     0.03008    -0.01306    -0.00000
     0.55338    -0.50088    -0.00299
     0.41161     0.26435     0.00494
     0.08753    -0.47921    -0.00492
     0.74423    -0.06225     0.00297
    -0.13351     0.19378     0.00156
    -0.23255    -0.03484    -0.00155
 vibration                      35
    -0.01267     0.01331     0.00009
    -0.00837    -0.00708    -0.00012
    -0.00054     0.01092     0.00012
    -0.01848     0.00018    -0.00009
    -0.00064     0.00027     0.00000
    -0.11540     0.05010     0.00000
     0.15450    -0.13666    -0.00080
     0.09864     0.06328     0.00119
     0.02107    -0.11501    -0.00118
     0.20664    -0.01966     0.00080
     0.50321    -0.72662    -0.00577
     0.87453     0.12858     0.00576
 vibration                      36
    -0.03867     0.04062     0.00027
    -0.05491    -0.03670    -0.00067
     0.01069    -0.06525    -0.00067
     0.05616    -0.00051     0.00027
     0.00109     0.00253     0.00003
     0.00026     0.00076     0.00001
     0.43746    -0.39720    -0.00238
     0.59958     0.37150     0.00704
    -0.13820     0.69257     0.00706
    -0.58962     0.04840    -0.00235
     0.00699    -0.01389    -0.00013
    -0.01400    -0.00425    -0.00012
 --> end of molden input
