%chk=000157098.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157098

0 1
 O    4.777200       1.658100      0.2158000    
 O   -4.593200       1.713000      7.3799998E-02
 O   -2.099500      -3.184500      -1.111000    
 O  -0.9982000      -4.427600      0.3368000    
 N   -1.089700      -3.470100     -0.4481000    
 C   6.9799997E-02  -1.446600      0.3965000    
 C    1.353600     -0.6002000      0.3471000    
 C   -1.162400     -0.6114000      0.3112000    
 C   0.1050000      -2.618300     -0.6209000    
 C    1.942000     -0.3822000     -0.8728000    
 C   -1.420600      0.1354000     -0.8384000    
 C    1.849800     -0.1028000       1.525200    
 C   -2.057000     -0.5769000       1.380700    
 C    3.105900      0.3853000     -0.9177000    
 C   -2.573400      0.9166000     -0.9184000    
 C    3.013600      0.6649000       1.480400    
 C   -3.209800      0.2042000       1.300900    
 C    3.641800      0.9088000      0.2590000    
 C   -3.468000      0.9512000      0.1513000    
 C    5.710800       1.363100     -0.8220000    
 C   -4.524500       2.893200     -0.7252000    
 C    7.105800       1.701500     -0.3412000    
 C   -5.479100       3.925100     -0.1634000    
 H   7.9099998E-02  -1.936700       1.383400    
 H   8.4500000E-02  -2.293500      -1.666700    
 H   0.9864000      -3.253800     -0.4766000    
 H    1.544300     -0.7552000      -1.808700    
 H  -0.7521000      0.1128000      -1.693400    
 H    1.365300     -0.2868000       2.478700    
 H   -1.872000      -1.152500       2.283800    
 H    3.546400      0.5774000      -1.891600    
 H   -2.752200       1.458600      -1.842300    
 H    3.426100       1.070600       2.400200    
 H   -3.903100      0.2271000       2.137100    
 H    5.703700      0.2984000      -1.087100    
 H    5.467800       1.963100      -1.705900    
 H   -4.807800       2.647800      -1.754600    
 H   -3.520000       3.334800     -0.7156000    
 H    7.848100       1.497200      -1.117800    
 H    7.171000       2.757800     -6.0100000E-02
 H    7.358200       1.119100      0.5512000    
 H   -5.460200       4.841800     -0.7595000    
 H   -6.502300       3.535500     -0.1478000    
 H   -5.216700       4.170800      0.8711000    


%chk=000157098-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157098

0 1
O 5.119909 1.225832 0.331512
O -4.527970 2.019554 0.343951
O -2.037945 -3.865014 -1.394306
O -1.474057 -3.958591 0.811976
N -1.300182 -3.541608 -0.393678
C 0.036541 -1.532882 0.425357
C 1.399313 -0.836587 0.325105
C -1.144458 -0.548303 0.391561
C -0.109867 -2.622922 -0.665747
C 2.167736 -0.781993 -0.861214
C -1.176815 0.540030 -0.512054
C 1.912614 -0.179552 1.477552
C -2.254048 -0.734204 1.259433
C 3.411923 -0.108416 -0.909733
C -2.280456 1.419405 -0.567161
C 3.143402 0.494776 1.450490
C -3.359862 0.133990 1.221633
C 3.903580 0.532689 0.252539
C -3.380517 1.213669 0.303986
C 5.961424 1.279517 -0.880976
C -4.609676 3.149232 -0.603196
C 7.215065 2.069058 -0.514828
C -5.951220 3.834866 -0.358906
H -0.001529 -2.068126 1.393797
H -0.288357 -2.214268 -1.671549
H 0.774126 -3.286973 -0.677229
H 1.812368 -1.267137 -1.777889
H -0.319501 0.722597 -1.170653
H 1.331886 -0.197528 2.407578
H -2.252468 -1.570091 1.968623
H 3.976832 -0.094872 -1.846403
H -2.267693 2.252361 -1.276232
H 3.540191 0.994980 2.339144
H -4.216871 -0.004743 1.887608
H 6.214178 0.246939 -1.199452
H 5.398087 1.774286 -1.699109
H -4.536826 2.765235 -1.641785
H -3.763816 3.844600 -0.422914
H 7.887640 2.140091 -1.388902
H 6.951631 3.090401 -0.191443
H 7.759860 1.574490 0.307177
H -6.068116 4.694919 -1.043163
H -6.784281 3.132777 -0.532630
H -6.017374 4.201616 0.679533


