%chk=000166492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166492

0 1
 O   -2.265100       2.054000      0.3869000    
 O   -2.185100      -2.064000      0.3543000    
 O   -1.003400       2.032100      -1.520400    
 O  -0.8997000      -2.053400      -1.537200    
 N   -4.158900     -4.4199999E-02  0.5622000    
 N  -3.2299999E-02   1.984500      0.6091000    
 N   4.3800000E-02  -1.964500      0.6034000    
 C   -3.897500      0.6728000     -0.6853000    
 C   -4.493600      -1.441200      0.2884000    
 C   -3.447200       2.097000     -0.4017000    
 C   -3.356500      -2.131200     -0.4482000    
 C   -5.237900      0.6033000       1.307400    
 C   -1.073800       2.023600     -0.2975000    
 C  -0.9856000      -2.029200     -0.3155000    
 C    1.354800       1.944900      0.3401000    
 C    1.433700      -1.911900      0.3512000    
 C    2.251000       1.909100       1.396700    
 C    2.315900      -1.850000       1.418200    
 C    1.791500       1.941400     -0.9750000    
 C    1.887000      -1.924400     -0.9582000    
 C    3.619700       1.868900       1.131000    
 C    3.687400      -1.799100       1.169200    
 C    3.160300       1.901000      -1.240600    
 C    3.258500      -1.873500      -1.207300    
 C    4.074300       1.864800     -0.1876000    
 C    4.158700      -1.810900     -0.1435000    
 H   -4.782200      0.6867000      -1.334200    
 H   -3.081500      0.2149000      -1.249000    
 H   -4.647700      -1.960800       1.242700    
 H   -5.419900      -1.529500     -0.2929000    
 H   -4.196500       2.692500      0.1277000    
 H   -3.278700       2.632100      -1.344900    
 H   -3.220500      -1.761700      -1.469100    
 H   -3.612900      -3.193300     -0.5461000    
 H   -4.924000       1.559200       1.737000    
 H   -6.134600      0.7596000      0.6968000    
 H   -5.527300     -9.8999999E-03   2.169800    
 H  -0.2931000       1.983400       1.592300    
 H  -0.2294000      -1.952000       1.583100    
 H    1.907500       1.909900       2.427300    
 H    1.959300      -1.838600       2.444400    
 H    1.146100       1.965500      -1.840800    
 H    1.252900      -1.969500      -1.831600    
 H    4.331400       1.838700       1.950800    
 H    4.388300      -1.748300       1.997300    
 H    3.515700       1.895600      -2.267000    
 H    3.626900      -1.880500      -2.229100    
 H    5.139900       1.831400     -0.3945000    
 H    5.226400      -1.769200     -0.3376000    


%chk=000166492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166492

0 1
O -1.679401 1.478237 0.604412
O -1.766239 -2.048744 -0.466736
O -1.283731 3.747106 0.058516
O 0.274891 -0.866304 -0.535357
N -4.159849 -0.276377 0.280674
N 0.186347 1.980340 -0.554234
N -0.045037 -2.819357 0.754835
C -4.097129 1.198328 0.214604
C -3.912919 -0.999757 -0.975008
C -3.021334 1.819081 1.123942
C -2.429859 -1.063859 -1.362766
C -5.236630 -0.806251 1.130305
C -0.932412 2.539125 0.021611
C -0.436459 -1.818865 -0.111774
C 1.247456 2.658680 -1.210468
C 1.225549 -3.017674 1.366931
C 2.272967 1.851387 -1.776881
C 1.360325 -4.143194 2.223693
C 1.323491 4.073407 -1.317512
C 2.332333 -2.154186 1.157137
C 3.362009 2.453162 -2.438294
C 2.588140 -4.403277 2.864625
C 2.422228 4.658087 -1.984154
C 3.554999 -2.429563 1.806644
C 3.446162 3.861712 -2.546724
C 3.695650 -3.547523 2.659961
H -5.079007 1.641027 0.500352
H -3.900244 1.526733 -0.825631
H -4.286448 -2.034731 -0.867522
H -4.458982 -0.554208 -1.846016
H -3.069146 1.389966 2.138691
H -3.118433 2.920226 1.164354
H -1.934023 -0.086438 -1.249108
H -2.310680 -1.429908 -2.400270
H -5.193808 -0.333162 2.128598
H -6.264816 -0.635702 0.721952
H -5.101375 -1.892478 1.277117
H 0.238371 0.945810 -0.511085
H -0.780854 -3.492238 0.981981
H 2.203700 0.759743 -1.699601
H 0.505436 -4.811957 2.387263
H 0.530962 4.689509 -0.887244
H 2.227629 -1.288293 0.501781
H 4.145079 1.820319 -2.871402
H 2.678262 -5.274059 3.523193
H 2.475308 5.750175 -2.062558
H 4.404674 -1.757567 1.642448
H 4.293283 4.328254 -3.060992
H 4.649663 -3.748637 3.158213


