%chk=000041548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041548

0 1
 O    1.287000      -1.734100       1.529000    
 O  -0.8303000      0.2583000      -1.757500    
 N    3.233300      -1.384800     -0.3348000    
 N   0.5400000      0.4809000       1.326800    
 N   -2.491400       1.147300     -0.3328000    
 C    4.104000      -1.037200      0.7970000    
 C    3.964700      -1.317800      -1.607800    
 C    5.307100      -1.978400      0.8773000    
 C    5.163200      -2.267900      -1.606200    
 C    6.091400      -1.987900     -0.4297000    
 C    2.064300     -0.5064000     -0.3696000    
 C    1.276900     -0.6578000      0.9258000    
 C   0.6641000       1.741700      0.6230000    
 C  -0.3032000      0.4831000       2.532600    
 C  -0.1692000       2.001700     -0.4320000    
 C    1.627200       2.611600       1.064300    
 C   -1.189700       1.068700     -0.8933000    
 C  -3.0500000E-02   3.221000      -1.095100    
 C    1.765700       3.830800      0.4010000    
 C   0.9370000       4.135500     -0.6787000    
 C   -3.301500     -5.1800001E-02 -0.2264000    
 C   -3.027200       2.433300      0.1414000    
 C   -2.658500      -1.247900     -6.2700003E-02
 C   -4.660900      8.3700001E-02 -0.2958000    
 C   -4.827300      -2.311400     -2.5800001E-02
 C   -3.437000      -2.400800      3.9400000E-02
 C   -5.439400      -1.069200     -0.1934000    
 C   -5.659900      -3.544000      8.4100001E-02
 H    3.593500      -1.106500       1.762200    
 H    4.460600     -2.2000000E-03  0.7035000    
 H    4.308300     -0.2944000      -1.809000    
 H    3.301600      -1.606400      -2.432400    
 H    5.964500      -1.670200       1.698100    
 H    4.963900      -2.995300       1.106300    
 H    4.809400      -3.305400      -1.553600    
 H    5.717200      -2.166600      -2.546300    
 H    6.578900      -1.015500     -0.5714000    
 H    6.884100      -2.743000     -0.3877000    
 H    2.392700      0.5166000     -0.5605000    
 H    1.399500     -0.8156000      -1.182700    
 H  -0.5364000     -0.5434000       2.827900    
 H   0.2509000      0.9667000       3.342300    
 H   -1.232700       1.025500       2.341700    
 H    2.275300       2.376700       1.902800    
 H  -0.6688000       3.470200      -1.939100    
 H    2.519400       4.542500      0.7248000    
 H    1.045300       5.084500      -1.195400    
 H   -3.612200       2.882300     -0.6669000    
 H   -3.657500       2.273600       1.022000    
 H   -2.242000       3.133400      0.4277000    
 H   -1.582800      -1.348600      2.1900000E-02
 H   -5.160200       1.035000     -0.4432000    
 H   -2.948900      -3.362400      0.1749000    
 H   -6.521700     -0.9877000     -0.2511000    
 H   -5.170900      -4.296400      0.7122000    
 H   -5.829600      -3.972300     -0.9087000    
 H   -6.630300      -3.325800      0.5429000    


%chk=000041548-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041548

0 1
O 1.956559 -0.917822 2.383766
O -0.535255 -0.131219 -1.045999
N 3.479310 -1.148919 -0.021919
N 0.926292 1.050017 1.693175
N -2.410147 0.845616 -0.009745
C 4.672977 -1.055116 0.854289
C 3.841644 -1.359616 -1.445287
C 5.541500 -2.323779 0.742965
C 4.681871 -2.642172 -1.615599
C 5.943701 -2.591396 -0.724961
C 2.547899 -0.028537 0.142103
C 1.814571 -0.029366 1.495561
C 0.759469 2.139762 0.757006
C 0.140469 1.111998 2.942796
C -0.269657 2.112081 -0.225360
C 1.594189 3.279190 0.865369
C -1.081149 0.849781 -0.450069
C -0.421576 3.216460 -1.101218
C 1.433163 4.376484 -0.007501
C 0.422960 4.342199 -0.997725
C -3.285374 -0.289395 -0.217502
C -3.002932 2.041453 0.636227
C -2.798150 -1.623363 -0.178922
C -4.672328 -0.073093 -0.417374
C -5.079197 -2.500739 -0.552426
C -3.688916 -2.700856 -0.345503
C -5.550823 -1.166274 -0.580652
C -6.018956 -3.677935 -0.742846
H 4.323725 -0.929036 1.892584
H 5.295516 -0.157865 0.581254
H 4.425274 -0.488220 -1.852276
H 2.908414 -1.434485 -2.034430
H 6.439502 -2.209695 1.380894
H 4.959410 -3.181297 1.131104
H 4.060450 -3.511531 -1.326492
H 4.957045 -2.762004 -2.681641
H 6.610428 -1.776912 -1.078908
H 6.514871 -3.535895 -0.807047
H 3.046742 0.969372 0.012079
H 1.766721 -0.091807 -0.640682
H 0.460183 0.266780 3.573568
H 0.323727 2.063668 3.475398
H -0.942589 1.017074 2.736489
H 2.370393 3.286279 1.638764
H -1.198283 3.184799 -1.874249
H 2.090979 5.247877 0.079880
H 0.296496 5.184790 -1.685817
H -3.575020 2.659221 -0.081700
H -3.680726 1.720235 1.444610
H -2.208649 2.668518 1.065268
H -1.734639 -1.811821 -0.028074
H -5.076813 0.943183 -0.458534
H -3.292416 -3.722833 -0.308134
H -6.619084 -0.973638 -0.736166
H -5.908972 -4.418281 0.071210
H -5.809760 -4.207447 -1.691985
H -7.074041 -3.354976 -0.766318


