%chk=000055350.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055350

0 1
 O  -0.1848000      -1.682700     -5.0000002E-04
 O   0.6136000      -1.026700      -2.069500    
 N    3.597400       1.207600      0.1580000    
 C   8.2999999E-03  0.6107000     -0.4760000    
 C    1.158500       1.212300      0.2681000    
 C   0.8565000       1.664000      -1.126200    
 C    2.409300      0.4319000      0.5120000    
 C   -1.386500      0.9724000     -0.1029000    
 C   0.1848000     -0.7814000     -0.9511000    
 C   -2.251100       1.502600      -1.061900    
 C   -1.832600      0.7823000       1.205900    
 C    4.809300      0.4269000      0.4039000    
 C    3.634100       2.459700      0.9126000    
 C   -3.558300       1.841800     -0.7129000    
 C   -3.139900       1.121500       1.555000    
 C  -4.8400000E-02  -3.057900     -0.3725000    
 C   -4.002700       1.651200      0.5956000    
 C  -0.4994000      -3.928800      0.7901000    
 C  -0.3681000      -5.407400      0.4724000    
 H   0.9352000       1.897200       1.079200    
 H    1.533200       1.382900      -1.925500    
 H   0.4706000       2.671600      -1.240800    
 H    2.431300     -0.4959000     -6.7800000E-02
 H    2.432200      0.1326000       1.568400    
 H   -1.921400       1.651900      -2.086800    
 H   -1.172600      0.3685000       1.964000    
 H    4.801800     -0.4951000     -0.1884000    
 H    4.922000      0.1577000       1.460400    
 H    5.698300      0.9881000      9.4599999E-02
 H    4.566600       2.999100      0.7075000    
 H    3.574600       2.296100       1.995000    
 H    2.833800       3.144200      0.6133000    
 H   -4.230700       2.253100      -1.460000    
 H   -3.486100      0.9723000       2.573500    
 H    1.001300      -3.263600     -0.6129000    
 H  -0.6671000      -3.256900      -1.255400    
 H   -5.020700       1.914800      0.8671000    
 H   9.0700001E-02  -3.685700       1.681900    
 H   -1.539700      -3.692500       1.044300    
 H  -0.9806000      -5.678500     -0.3935000    
 H  -0.6993000      -6.009400       1.324400    
 H   0.6717000      -5.671000      0.2542000    


%chk=000055350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055350

0 1
O -0.453883 -1.886386 -0.116026
O 1.558787 -1.499338 -1.213565
N 3.854050 1.763880 0.179290
C 0.223656 0.401903 -0.399328
C 1.395490 1.326688 0.091509
C 0.950452 1.382692 -1.356755
C 2.768732 0.797540 0.483122
C -1.171223 0.742804 0.073104
C 0.536355 -1.051708 -0.630170
C -2.206602 0.977584 -0.865420
C -1.471343 0.819587 1.455639
C 5.185019 1.140245 0.326190
C 3.747420 3.021915 0.943618
C -3.516460 1.281514 -0.432177
C -2.779131 1.123606 1.893460
C -0.241865 -3.352222 -0.311193
C -3.807508 1.354709 0.949938
C -1.458211 -4.060296 0.286630
C -1.341008 -5.594168 0.142325
H 1.013199 2.132869 0.729709
H 1.621168 0.929175 -2.091958
H 0.379106 2.249633 -1.701619
H 2.978758 -0.128027 -0.080031
H 2.755048 0.532946 1.575471
H -1.981280 0.922711 -1.937298
H -0.676361 0.634713 2.187941
H 5.252270 0.252391 -0.327050
H 5.413689 0.816586 1.374840
H 5.966779 1.856052 0.014133
H 4.583494 3.690146 0.670301
H 3.776467 2.867740 2.054393
H 2.808103 3.544132 0.693131
H -4.307920 1.461726 -1.168697
H -2.997699 1.178979 2.966098
H 0.700894 -3.642008 0.189879
H -0.129448 -3.550926 -1.393546
H -4.822586 1.592504 1.287868
H -1.550170 -3.782291 1.353113
H -2.371948 -3.696431 -0.218701
H -1.272368 -5.895068 -0.919915
H -2.223153 -6.096138 0.577364
H -0.443669 -5.980463 0.661181


