%chk=000052648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052648

0 1
 O   -2.367700     -0.3445000      0.1558000    
 O    3.493300       1.924200      4.3800000E-02
 N   0.9603000      0.8498000      0.1065000    
 N    2.056900      0.1145000     -0.1809000    
 N    4.314300     -0.1501000     -0.5015000    
 C  -0.2049000      -1.289500     -0.2213000    
 C   -1.480900      0.7651000      0.3947000    
 C   -1.691000      -1.403600     -0.5468000    
 C  -0.1361000      0.1690000      8.6800002E-02
 C   -1.832700       1.923400     -0.5281000    
 C   0.1860000      -2.098000       1.008600    
 C   -1.596100       1.162900       1.860100    
 C   -1.979300      -1.293200      -2.040700    
 C   -3.180300       2.529900     -0.1770000    
 C   0.1619000      -3.592700      0.7315000    
 C    3.296300      0.7328000     -0.1915000    
 H   0.3834000      -1.582300      -1.096400    
 H   -2.131100      -2.342400     -0.1989000    
 H   -1.868800       1.591300      -1.570600    
 H   -1.066600       2.706600     -0.4763000    
 H  -0.4902000      -1.883600       1.845600    
 H    1.187700      -1.830200       1.361700    
 H   -2.638400       1.287700       2.171900    
 H   -1.186200      0.3797000       2.508700    
 H   -1.041500       2.082500       2.074900    
 H   -1.520600     -0.4039000      -2.482200    
 H   -1.595400      -2.168500      -2.574500    
 H   -3.057300      -1.218900      -2.218300    
 H   -3.970900       1.773900     -0.1450000    
 H   -3.156600       3.056800      0.7816000    
 H   -3.460400       3.267500     -0.9370000    
 H  -0.8427000      -3.956800      0.5008000    
 H   0.8214000      -3.846900     -0.1047000    
 H   0.5132000      -4.140300       1.612300    
 H    2.000100     -0.8716000     -0.3894000    
 H    5.280200      0.1567000     -0.5475000    
 H    4.130400      -1.129500     -0.6915000    


%chk=000052648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052648

0 1
O -2.452479 -0.332053 0.240597
O 3.454928 2.152826 0.017250
N 0.984202 0.801001 0.101043
N 2.181678 0.167414 -0.198746
N 4.494063 0.145704 -0.558566
C -0.322353 -1.397286 -0.174315
C -1.449986 0.765215 0.444827
C -1.836357 -1.450831 -0.526760
C -0.115397 0.091555 0.104603
C -1.746596 1.957765 -0.508525
C 0.039501 -2.278870 1.062244
C -1.525979 1.167737 1.931273
C -2.131695 -1.344560 -2.033082
C -3.124139 2.613538 -0.286502
C 0.100871 -3.783361 0.722231
C 3.379679 0.923374 -0.227631
H 0.283202 -1.736898 -1.042937
H -2.311725 -2.362826 -0.120027
H -1.680398 1.590445 -1.550381
H -0.929629 2.693868 -0.381716
H -0.716920 -2.098098 1.849722
H 1.010873 -1.953716 1.485033
H -2.550995 1.482468 2.189210
H -1.257851 0.314419 2.577695
H -0.826725 1.997619 2.133523
H -1.590585 -0.499754 -2.496236
H -1.830716 -2.274351 -2.552898
H -3.212741 -1.191421 -2.193536
H -3.923869 1.852277 -0.317070
H -3.181874 3.135768 0.685299
H -3.326210 3.360699 -1.075643
H -0.859945 -4.145000 0.311533
H 0.886029 -3.994118 -0.029484
H 0.325931 -4.384800 1.621386
H 2.200254 -0.834207 -0.432114
H 5.387804 0.629102 -0.592136
H 4.465851 -0.852845 -0.753960


