%chk=000045068.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045068

0 1
 O   0.8015000      0.6850000     -0.9104000    
 O    2.492500      -1.264500      0.2340000    
 O    5.210000     -0.7372000      0.3924000    
 O   -3.205600      -2.177700      0.4344000    
 N   -1.179600      -1.199100     -0.2688000    
 C    3.015300     -3.5000000E-02 -0.2742000    
 C    1.945700       1.043200     -0.1424000    
 C  -0.4141000       1.096700     -0.4328000    
 C    4.260400      0.3145000      0.5303000    
 C   -1.402500      0.1710000     -0.1122000    
 C  -0.6461000       2.459800     -0.2731000    
 C   -2.633800      0.6121000      0.3727000    
 C   -1.877300       2.900900      0.2118000    
 C   -2.871000       1.977100      0.5347000    
 C   -2.059200      -2.253800      4.3000001E-03
 C   -1.436200      -3.593000     -0.3007000    
 H    3.263000     -0.2173000      -1.325100    
 H    2.329400       2.001100     -0.5112000    
 H    1.670100       1.157700      0.9148000    
 H    4.038300      0.4215000       1.597400    
 H    4.718300       1.240700      0.1708000    
 H   0.1153000       3.191300     -0.5289000    
 H   -3.453600     -3.6800001E-02  0.6453000    
 H  -0.2593000      -1.447900     -0.6259000    
 H   -2.063000       3.963800      0.3361000    
 H   -3.829500       2.322000      0.9118000    
 H    2.247100      -1.125100       1.164700    
 H    4.788100      -1.554100      0.7094000    
 H   -1.219800      -3.663300      -1.370300    
 H   -2.126100      -4.394700     -2.2900000E-02
 H  -0.5096000      -3.710800      0.2683000    


%chk=000045068-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045068

0 1
O 0.761697 0.887053 -0.921370
O 2.100159 -1.350036 0.314613
O 4.953088 -1.269715 0.340088
O -2.905103 -2.242613 0.384028
N -0.985123 -1.035446 -0.230010
C 2.821528 -0.150666 -0.197426
C 1.957909 1.110246 -0.084278
C -0.489378 1.324694 -0.400646
C 4.181707 -0.042572 0.515408
C -1.432488 0.300203 -0.083590
C -0.810494 2.686693 -0.267493
C -2.725928 0.681033 0.362714
C -2.096523 3.056154 0.191094
C -3.042974 2.050967 0.497122
C -1.698751 -2.212961 -0.005878
C -0.904831 -3.486395 -0.290606
H 2.980622 -0.393651 -1.261410
H 2.517194 1.987388 -0.465704
H 1.660083 1.308141 0.967154
H 4.026434 0.184747 1.595998
H 4.792687 0.762715 0.072874
H -0.068097 3.444658 -0.540880
H -3.450449 -0.100454 0.599007
H -0.002581 -1.119632 -0.527444
H -2.356957 4.114603 0.294189
H -4.043327 2.332355 0.843608
H 1.824316 -1.186248 1.255420
H 4.328735 -2.031343 0.476565
H -1.257007 -3.927202 -1.240985
H -1.110251 -4.220629 0.505611
H 0.182803 -3.313986 -0.363472


