%chk=000017191.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017191

0 1
 O   0.6348000       2.288300      0.1333000    
 O   -2.649800      -1.919500     -9.1100000E-02
 O    4.613200       2.694100     -0.8343000    
 N    2.772700      0.7917000      0.1609000    
 N  -0.6798000      -3.631300     -7.7699997E-02
 C   0.4564000     -7.3700003E-02  6.0300000E-02
 C  -0.4020000      -1.173600      1.3000000E-03
 C    1.842000     -0.2708000      9.9699996E-02
 C   -1.550100       1.493500      4.0600002E-02
 C   -2.408500      0.3937000     -1.8400000E-02
 C   0.1251000      -2.470500     -1.8400000E-02
 C  -8.6199999E-02   1.300000      8.1699997E-02
 C   -1.865900     -0.9801000     -3.9999999E-02
 C    2.362900      -1.564900      8.0200002E-02
 C    1.506300      -2.662300      2.1299999E-02
 C   -2.077100       2.790400      6.0800001E-02
 C   -3.794100      0.5908000     -5.6899998E-02
 C    4.184900      0.5812000      0.2019000    
 C   -3.458400       2.982300      2.2100000E-02
 C   -4.315100       1.884800     -3.6300000E-02
 C    4.922200       1.906600      0.3081000    
 C  -0.1334000      -4.950900     -9.9200003E-02
 H    3.426600      -1.779300      0.1065000    
 H    1.970100      -3.643700      8.2000000E-03
 H    2.416000       1.739000      0.1585000    
 H   -1.432600       3.664200      0.1062000    
 H   -4.485200     -0.2465000     -0.1029000    
 H    4.514100      7.7600002E-02 -0.7152000    
 H    4.467300     -2.9200001E-02   1.067500    
 H   -1.685400      -3.521900     -0.1077000    
 H   -3.866700       3.988700      3.7799999E-02
 H   -5.390200       2.037000     -6.6200003E-02
 H    6.003700       1.742900      0.3395000    
 H    4.617100       2.458400       1.203400    
 H  -0.9501000      -5.679400     -0.1470000    
 H   0.4352000      -5.172500      0.8101000    
 H   0.4929000      -5.119500     -0.9817000    
 H    5.098300       3.531800     -0.7425000    


%chk=000017191-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017191

0 1
O 0.762366 2.329822 0.001732
O -2.691289 -2.009139 -0.017992
O 4.539971 2.925012 -0.639172
N 2.809850 0.760059 0.067304
N -0.716657 -3.646153 -0.015222
C 0.504269 -0.081942 0.010330
C -0.399627 -1.213493 -0.002290
C 1.933274 -0.297524 0.029531
C -1.488431 1.488020 -0.007724
C -2.376493 0.373884 -0.012918
C 0.126160 -2.559477 -0.005590
C -0.018087 1.288335 0.002247
C -1.851090 -1.011740 -0.010011
C 2.419919 -1.654241 0.009769
C 1.554780 -2.737500 -0.006217
C -2.015683 2.805901 -0.013750
C -3.779161 0.592899 -0.022848
C 4.267538 0.642783 0.065573
C -3.406821 3.013936 -0.023329
C -4.292597 1.902389 -0.027567
C 4.902673 1.985565 0.431204
C -0.276367 -5.037964 -0.022493
H 3.498172 -1.837639 -0.006804
H 1.967496 -3.750475 -0.025868
H 2.356935 1.697515 -0.025571
H -1.307518 3.640019 -0.012054
H -4.434723 -0.283168 -0.027051
H 4.647773 0.329314 -0.930459
H 4.603805 -0.111369 0.805834
H -1.728055 -3.378805 -0.021527
H -3.808811 4.033123 -0.028116
H -5.375773 2.066675 -0.035259
H 6.004075 1.861938 0.495518
H 4.517946 2.325667 1.415711
H -1.166419 -5.687298 -0.028355
H 0.323969 -5.292225 0.874495
H 0.327715 -5.282035 -0.919865
H 4.696116 3.856729 -0.346798


