%chk=000037042.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037042

1 1
 O  -0.5388000      -2.904200       1.380800    
 O    3.495100       1.819200      -1.020900    
 N    1.378000      0.8714000     -1.8000000E-03
 N   -1.884800       1.081100      -1.170400    
 C    1.005000     -0.3182000      0.8962000    
 C    1.118400      -1.689000      1.7999999E-02
 C   -1.110900     -0.7918000      0.1756000    
 C   0.6546000      0.6416000      -1.364300    
 C    2.208500      -1.324200      -1.081400    
 C  -0.8164000      6.0699999E-02  -1.154500    
 C  -0.4306000     -0.1462000       1.358200    
 C  -0.3803000      -2.159900      0.1844000    
 C    1.548600     -0.3650000      -2.134400    
 C    2.948300      0.8600000     -0.1120000    
 C    3.413400     -0.5571000     -0.5171000    
 C    1.010800       2.247200      0.5629000    
 C   -2.593100     -0.6522000      0.2491000    
 C   -2.976400      0.4714000     -0.5138000    
 C    4.156900      -1.294100      0.5970000    
 C    1.751900       2.461800       1.872900    
 C   -3.521000      -1.394000      0.9618000    
 C   -2.124600       1.933300      -2.316900    
 C   -4.310700      0.8583000     -0.5479000    
 C    4.725100      -2.610200      0.1039000    
 C    1.385900       3.797600       2.499400    
 C   -4.860600      -1.008200      0.9108000    
 C   -5.252300      0.1105000      0.1644000    
 H    1.683500     -0.3338000       1.754600    
 H    1.664000      -2.409500      0.6446000    
 H   0.6475000       1.593500      -1.902500    
 H    2.525100      -2.237300      -1.597000    
 H   -1.029400     -0.5961000      -2.013000    
 H  -0.6112000     -0.6889000       2.294500    
 H  -0.7762000      0.8616000       1.580900    
 H  -0.6785000      -2.790900     -0.6583000    
 H    2.304000      0.1347000      -2.750000    
 H   0.9439000     -0.9535000      -2.834100    
 H    3.386600       1.039100      0.8673000    
 H    4.137100     -0.4424000      -1.338300    
 H  -7.1999997E-02   2.358400      0.6360000    
 H    1.341200       2.989300     -0.1751000    
 H    3.535800      -1.472000       1.478600    
 H    4.994100     -0.6704000      0.9358000    
 H   0.1158000      -2.620200       2.039400    
 H    1.539500       1.677800       2.604800    
 H    2.833200       2.540700       1.751400    
 H    2.943000       1.853700      -1.817100    
 H   -3.222100      -2.249100       1.557700    
 H   -2.764500       2.781000      -2.050000    
 H   -2.598800       1.372800      -3.130000    
 H   -1.193100       2.356200      -2.701800    
 H   -4.639800       1.721200      -1.117300    
 H    5.356200      -3.057100      0.8793000    
 H    3.937500      -3.332600     -0.1289000    
 H    5.343800      -2.470500     -0.7884000    
 H    1.933900       3.944200       3.435800    
 H    1.630900       4.628000       1.829000    
 H   0.3153000       3.842800       2.724000    
 H   -5.606400      -1.574600       1.461800    
 H   -6.299400      0.4004000      0.1411000    


%chk=000037042-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037042

1 1
O -0.663127 -3.208518 0.827762
O 3.363971 1.786944 -1.175181
N 1.444968 0.849941 0.004710
N -1.804988 1.238960 -0.837020
C 1.095108 -0.273334 1.016562
C 1.244413 -1.650591 0.269861
C -1.055209 -0.811310 0.122330
C 0.680591 0.556345 -1.325850
C 2.155952 -1.466514 -0.977021
C -0.802829 0.160431 -1.083681
C -0.388938 -0.189455 1.387597
C -0.232492 -2.116513 -0.047103
C 1.420391 -0.611658 -2.040223
C 3.012080 0.775198 -0.223277
C 3.439085 -0.678705 -0.587068
C 1.081960 2.277911 0.485732
C -2.571000 -0.736447 0.201803
C -2.952024 0.538406 -0.312988
C 4.326210 -1.316814 0.514500
C 1.529476 2.644981 1.911028
C -3.525884 -1.593628 0.770927
C -2.020040 2.227297 -1.911225
C -4.291093 0.969195 -0.269161
C 4.862360 -2.712321 0.130975
C 1.086424 4.094317 2.225860
C -4.880573 -1.171842 0.810261
C -5.250127 0.095884 0.303585
H 1.783429 -0.149995 1.867532
H 1.699161 -2.392707 0.948884
H 0.743887 1.487087 -1.913335
H 2.424581 -2.449643 -1.397351
H -1.105515 -0.382204 -2.014344
H -0.588309 -0.808754 2.282435
H -0.762778 0.819267 1.611095
H -0.328754 -2.557943 -1.052180
H 2.141833 -0.232404 -2.787889
H 0.691414 -1.212622 -2.607467
H 3.426066 1.094530 0.746799
H 4.067810 -0.613532 -1.502040
H -0.013385 2.361940 0.377001
H 1.563155 2.948539 -0.247329
H 3.769199 -1.383759 1.469782
H 5.181953 -0.639149 0.704587
H -0.649859 -2.921438 1.776814
H 1.083595 1.962159 2.657573
H 2.628855 2.581028 2.016321
H 3.625104 1.391770 -2.044061
H -3.237199 -2.580469 1.145236
H -2.747828 2.982710 -1.574167
H -2.403293 1.765051 -2.847393
H -1.082210 2.763183 -2.138354
H -4.602540 1.938247 -0.670867
H 5.551061 -3.088142 0.906830
H 4.052170 -3.455821 0.023177
H 5.422262 -2.679432 -0.822005
H 1.401353 4.380380 3.243407
H 1.537194 4.815453 1.520541
H -0.012074 4.201175 2.171688
H -5.645016 -1.833611 1.229093
H -6.299487 0.407246 0.341090


