%chk=000173871.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173871

0 1
 O   -3.992000       1.497900       1.455100    
 O   -4.657700      0.4022000      -1.007400    
 N    1.456000      -2.355700      9.4300002E-02
 C   0.6122000     -0.1516000       1.094500    
 C   0.9764000      -1.649800       1.294900    
 C  -0.7897000     -3.5799999E-02  0.5020000    
 C   0.3910000      -2.621400     -0.8829000    
 C  -0.1334000      -1.361100      -1.573500    
 C   -1.132400     -0.5978000     -0.7427000    
 C    1.679300      0.7323000      0.4374000    
 C   -1.772400      0.6673000       1.226300    
 C   -2.440500     -0.4363000      -1.232400    
 C    2.086700      -3.621700      0.4865000    
 C   -3.066000      0.8148000      0.7283000    
 C    1.290000       1.825000     -0.3276000    
 C    3.024200      0.4311000      0.6136000    
 C   -3.399900      0.2634000     -0.5021000    
 C    2.260500       2.628700     -0.9258000    
 C    3.994800       1.234800      1.5600000E-02
 C    3.612900       2.333600     -0.7541000    
 H   0.5485000      0.2500000       2.118300    
 H    1.765900      -1.684700       2.058500    
 H   0.1268000      -2.188200       1.739700    
 H  -0.4312000      -3.193000     -0.4317000    
 H   0.8106000      -3.251000      -1.679100    
 H  -0.6111000      -1.673700      -2.511700    
 H   0.6873000     -0.7022000      -1.880000    
 H   -1.518700       1.106700       2.189100    
 H   -2.717600     -0.8620000      -2.194700    
 H    2.929600      -3.440900       1.163200    
 H    2.500900      -4.135800     -0.3882000    
 H    1.380900      -4.296900      0.9838000    
 H   0.2511000       2.101400     -0.4731000    
 H    3.357700     -0.4033000       1.221000    
 H    1.963800       3.486900      -1.521800    
 H    5.048100       1.008100      0.1528000    
 H    4.368700       2.960500      -1.218200    
 H   -3.582300       1.808400       2.280800    
 H   -5.187900      0.9138000     -0.3718000    


%chk=000173871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173871

0 1
O -4.156720 1.506474 1.312501
O -4.691292 0.409388 -1.109403
N 1.451500 -2.435654 0.192250
C 0.611805 -0.163165 1.110429
C 1.022112 -1.644011 1.367005
C -0.788565 -0.029105 0.502404
C 0.405679 -2.676551 -0.829979
C -0.075712 -1.389104 -1.546485
C -1.108654 -0.593859 -0.765098
C 1.673226 0.698195 0.390268
C -1.788854 0.676967 1.217006
C -2.415554 -0.436112 -1.287039
C 2.100703 -3.695356 0.610258
C -3.083049 0.823970 0.686780
C 1.315370 1.988622 -0.083708
C 3.026072 0.290592 0.260021
C -3.404847 0.266960 -0.575376
C 2.274828 2.846725 -0.664722
C 3.989469 1.148196 -0.318701
C 3.620940 2.431138 -0.782894
H 0.534837 0.261264 2.135738
H 1.874487 -1.642927 2.075035
H 0.165503 -2.131979 1.900820
H -0.480253 -3.213386 -0.401017
H 0.854894 -3.346336 -1.588198
H -0.509536 -1.683085 -2.519886
H 0.820223 -0.774756 -1.757973
H -1.545463 1.113688 2.195448
H -2.684368 -0.862862 -2.258740
H 2.948920 -3.474805 1.284300
H 2.496766 -4.221460 -0.276816
H 1.413008 -4.397474 1.147133
H 0.273114 2.318972 -0.006074
H 3.321894 -0.712572 0.576567
H 1.971819 3.836669 -1.025238
H 5.027873 0.809668 -0.414153
H 4.368274 3.093462 -1.234614
H -3.894296 1.879866 2.187101
H -5.245053 0.927741 -0.468048


