%chk=000039639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039639

0 1
 O   -4.219100      -2.950700      0.5113000    
 O   -5.959500      -1.511700     -0.3230000    
 O   0.8527000      0.3896000      -1.694300    
 O    6.420400      -1.762500      0.3525000    
 N   -2.684100       2.150300     -0.5956000    
 C   0.3551000      0.4672000      0.6284000    
 C   -1.001300      0.9051000      0.1735000    
 C    1.029600       1.419800       1.623800    
 C   -1.350500       2.165300     -0.2800000    
 C    1.428800       2.804500       1.099200    
 C  -0.5261000       3.392500     -0.4536000    
 C   0.2606000       3.748200      0.8052000    
 C   -2.188400      9.7199999E-02  0.1214000    
 C   -3.224200      0.9083000     -0.3634000    
 C    1.244500      0.1920000     -0.5465000    
 C   -2.468700      -1.252300      0.4429000    
 C   -4.539300      0.4560000     -0.5491000    
 C   -3.769800      -1.689700      0.2562000    
 C   -4.762000     -0.8686000     -0.2197000    
 C    2.620700     -0.3275000     -0.3074000    
 C   -5.607100      -2.829300      0.1428000    
 C    2.849500      -1.107200      0.8046000    
 C    3.613500     -9.2000002E-03  -1.207200    
 C    4.137600      -1.593400       1.028400    
 C    4.901600     -0.4954000     -0.9834000    
 C    5.163600      -1.287400      0.1344000    
 C    7.421800      -1.411300     -0.6012000    
 H   0.1991000     -0.4856000       1.148600    
 H    1.929100      0.9656000       2.051200    
 H   0.3552000       1.562000       2.480000    
 H    2.072900       2.715200      0.2171000    
 H    2.044000       3.280600       1.874100    
 H   0.1553000       3.259300      -1.302400    
 H   -1.175400       4.240500     -0.7054000    
 H   0.6753000       4.754800      0.6661000    
 H  -0.4056000       3.803100       1.675300    
 H   -3.201600       2.941200     -0.9536000    
 H   -1.701300      -1.920400      0.8185000    
 H   -5.322300       1.102700     -0.9255000    
 H   -5.824200      -3.552400     -0.6518000    
 H   -6.224600      -3.070100       1.015700    
 H    2.075200      -1.391100       1.507700    
 H    3.422800      0.6111000      -2.077800    
 H    4.334800      -2.215200       1.897400    
 H    5.651400     -0.2185000      -1.716600    
 H    8.358300      -1.873300     -0.2717000    
 H    7.591000     -0.3295000     -0.6272000    
 H    7.195100      -1.820000      -1.591800    


%chk=000039639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039639

0 1
O -3.620462 -3.194688 0.508366
O -5.525042 -2.067529 -0.391953
O 1.297210 1.493332 -1.436211
O 6.095162 -2.487166 0.223853
N -2.850248 2.195010 -0.567864
C 0.416398 0.947251 0.782063
C -0.988837 1.206193 0.293050
C 0.945585 2.021574 1.800109
C -1.515844 2.413591 -0.177529
C 1.166436 3.453987 1.252804
C -0.879900 3.769295 -0.337371
C -0.113559 4.258845 0.919375
C -2.033982 0.205016 0.183694
C -3.201094 0.859216 -0.358874
C 1.440898 0.818098 -0.371289
C -2.083053 -1.189668 0.495534
C -4.430855 0.195467 -0.609969
C -3.291471 -1.829745 0.239174
C -4.428319 -1.162268 -0.295610
C 2.645973 -0.057841 -0.192644
C -4.911823 -3.402947 -0.183784
C 2.897208 -0.836196 0.975493
C 3.596720 -0.109934 -1.247679
C 4.049781 -1.629265 1.082328
C 4.755723 -0.900864 -1.159501
C 4.985100 -1.666094 0.015396
C 7.096169 -2.576755 -0.845972
H 0.397519 -0.009424 1.338072
H 1.906967 1.659150 2.216119
H 0.223506 2.058905 2.639601
H 1.814724 3.419826 0.355142
H 1.732307 4.015464 2.023461
H -0.174276 3.734954 -1.191245
H -1.660500 4.514606 -0.592585
H 0.179460 5.314293 0.748832
H -0.795228 4.250585 1.793659
H -3.465880 2.917516 -0.935041
H -1.227088 -1.732605 0.904986
H -5.313466 0.694238 -1.017846
H -4.724305 -3.869090 -1.172338
H -5.572281 -4.003711 0.458484
H 2.191728 -0.829188 1.812137
H 3.395826 0.490308 -2.141463
H 4.250636 -2.230305 1.974052
H 5.464421 -0.919403 -1.992674
H 7.859568 -3.269450 -0.463702
H 7.553865 -1.589834 -1.049382
H 6.653019 -2.982952 -1.775158


