%chk=000037691.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037691

0 1
 O   0.3488000      -1.613500       1.847000    
 N  -0.7524000      5.2999999E-02  0.5933000    
 N   -4.976300     -0.6939000     -0.2733000    
 C    1.617100      0.2328000      0.8031000    
 C    1.021800       1.347500     -3.6300000E-02
 C   0.3501000     -0.5930000       1.172200    
 C    2.283100      0.7577000       2.071800    
 C  -0.3631000       1.192800     -0.1221000    
 C    2.562800     -0.6210000      1.9300001E-02
 C   -2.117500     -0.4001000      0.7190000    
 C    1.655500       2.408700     -0.6637000    
 C   -2.568000      -1.240300     -0.4745000    
 C    1.324900       1.598800       2.893400    
 C   -1.153000       2.080900     -0.8319000    
 C    2.109000      -1.305400      -1.105600    
 C    3.892900     -0.7282000      0.4179000    
 C   0.8731000       3.313900      -1.384600    
 C  -0.5197000       3.150700      -1.468100    
 C   -4.000000      -1.772400     -0.3690000    
 C    2.990700      -2.102000      -1.836300    
 C    4.774600      -1.524600     -0.3128000    
 C    4.323400      -2.211500      -1.439900    
 C   -6.327900      -1.224800     -0.1640000    
 C   -7.350000     -0.1060000     -5.5100001E-02
 H    3.141400       1.404300       1.846500    
 H    2.626900     -6.3100003E-02   2.715400    
 H   -2.766500      0.4691000      0.8713000    
 H   -2.189800      -1.011100       1.627000    
 H    2.730400       2.539900     -0.6015000    
 H   -1.887900      -2.094600     -0.5876000    
 H   -2.468900     -0.6552000      -1.397700    
 H   0.9951000       2.500600       2.369400    
 H   0.4428000       1.037600       3.216200    
 H    1.832000       1.936600       3.804800    
 H   -2.228400       1.966500     -0.9057000    
 H    1.077300      -1.238400      -1.439400    
 H    4.321000     -0.2259000       1.276700    
 H    1.345400       4.154100      -1.886500    
 H   -1.109700       3.866400      -2.034500    
 H   -4.068100      -2.420700      0.5131000    
 H   -4.205800      -2.390900      -1.251100    
 H    2.639700      -2.636600      -2.714200    
 H    5.813000      -1.610300     -5.7999999E-03
 H    5.010000      -2.831400      -2.009000    
 H   -4.905100     -8.9800000E-02  -1.091500    
 H   -6.569700      -1.839200      -1.039300    
 H   -6.412900      -1.860400      0.7252000    
 H   -7.161700      0.5167000      0.8260000    
 H   -7.328300      0.5379000     -0.9408000    
 H   -8.358600     -0.5221000      3.4899998E-02


%chk=000037691-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037691

0 1
O 0.636024 -1.596486 2.092994
N -0.744058 -0.198120 0.783315
N -4.735624 -0.782019 -0.383949
C 1.605792 0.303802 0.719063
C 0.788480 1.314554 -0.080567
C 0.487360 -0.632057 1.294116
C 2.378604 0.974863 1.908942
C -0.586666 0.962377 -0.017873
C 2.582638 -0.549346 -0.129292
C -2.026112 -0.856476 1.060859
C 1.172296 2.475461 -0.768164
C -2.486949 -1.793935 -0.083610
C 1.490838 1.778336 2.881127
C -1.590392 1.725369 -0.645275
C 2.807435 -0.304058 -1.507240
C 3.282579 -1.619787 0.491173
C 0.179234 3.264837 -1.408451
C -1.182955 2.886946 -1.348979
C -4.011269 -2.026462 -0.027547
C 3.724547 -1.091434 -2.241731
C 4.195518 -2.406193 -0.242593
C 4.427513 -2.142308 -1.612835
C -6.194406 -0.805168 -0.123213
C -6.849127 0.517111 -0.557609
H 3.159928 1.627775 1.473526
H 2.900286 0.174420 2.464433
H -2.800328 -0.083346 1.218871
H -1.897639 -1.431091 1.995095
H 2.225263 2.776957 -0.807720
H -1.948989 -2.757784 -0.021742
H -2.224898 -1.343211 -1.061765
H 0.957094 2.596370 2.365532
H 0.741830 1.127269 3.367527
H 2.110485 2.226804 3.678756
H -2.646803 1.442321 -0.580912
H 2.260951 0.495783 -2.015505
H 3.080471 -1.859202 1.540287
H 0.469860 4.171586 -1.949608
H -1.938834 3.505110 -1.846653
H -4.308605 -2.306661 1.003135
H -4.284661 -2.890492 -0.680590
H 3.884569 -0.883169 -3.305988
H 4.721043 -3.229716 0.254249
H 5.138395 -2.752037 -2.181972
H -4.542967 -0.517222 -1.362197
H -6.707143 -1.659574 -0.632346
H -6.339922 -0.952975 0.964883
H -6.383675 1.368322 -0.030166
H -6.732597 0.681957 -1.646343
H -7.930914 0.512100 -0.333748


