%chk=000090463.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090463

0 1
 O    1.520200       3.419000     -0.4214000    
 O    3.571400      -1.512300     -0.5087000    
 O   -5.030600      -1.551200      0.1711000    
 O   0.7044000       4.908000       1.145200    
 O    4.254300      -3.694800     -0.8365000    
 N    1.473200     -7.7399999E-02  0.7058000    
 N   -3.219800     -0.2037000     -0.4956000    
 C    1.689300       1.033200     -0.2001000    
 C    2.589500     -0.5860000       1.478000    
 C   0.1906000     -0.6471000      0.8443000    
 C    1.270300       2.334200      0.4635000    
 C    3.157100      -1.829100      0.8144000    
 C  -0.8803000     -0.1429000      0.1063000    
 C  -6.8000001E-03  -1.715600       1.718800    
 C   -2.148600     -0.7075000      0.2429000    
 C   -1.275000      -2.280000       1.855400    
 C   -2.345900      -1.775900       1.117400    
 C   -4.555800     -0.6361000     -0.4933000    
 C   -5.402600      0.1902000      -1.449900    
 C    1.188200       4.659100      4.9300000E-02
 C    4.105800      -2.545100      -1.228000    
 C   -6.848500     -0.2700000      -1.501100    
 C    1.505500       5.697800     -0.9835000    
 C    4.494300      -2.067100      -2.594200    
 H    2.754900       1.113100     -0.4557000    
 H    1.211900      0.8937000      -1.177500    
 H    3.379600      0.1764000       1.506100    
 H    2.335300     -0.7602000       2.529400    
 H   0.2087000       2.329700      0.7318000    
 H    1.849800       2.483200       1.383500    
 H    4.025000      -2.174400       1.388700    
 H    2.425100      -2.642100      0.7744000    
 H  -0.7778000      0.6837000     -0.5889000    
 H   0.7800000      -2.151300       2.324000    
 H   -1.428600      -3.111500       2.537400    
 H   -3.296200      -2.265300       1.277900    
 H   -2.994900      0.5756000      -1.110600    
 H   -4.961400      0.1227000      -2.450800    
 H   -5.361500       1.237800      -1.130900    
 H   -7.319800     -0.1960000     -0.5155000    
 H   -7.420300      0.3472000      -2.200700    
 H   -6.917800      -1.312500      -1.828900    
 H   0.9268000       5.506900      -1.890700    
 H    2.576500       5.689200      -1.200600    
 H    1.235500       6.685700     -0.5994000    
 H    5.252100      -1.284100      -2.510800    
 H    3.611900      -1.694500      -3.120700    
 H    4.914500      -2.900400      -3.164600    


%chk=000090463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090463

0 1
O 1.505063 3.304315 -0.620347
O 3.801152 -1.437597 -0.506942
O -5.310748 -1.433904 0.421808
O 1.041447 4.975367 0.935120
O 4.657200 -3.573408 -0.869469
N 1.336499 -0.188891 0.728708
N -3.457859 -0.137392 -0.221907
C 1.557124 0.919667 -0.212953
C 2.514709 -0.723364 1.426126
C 0.059050 -0.758717 0.914141
C 1.294344 2.286165 0.447970
C 3.166221 -1.937735 0.748329
C -1.092608 -0.204067 0.283658
C -0.131180 -1.910443 1.741477
C -2.378957 -0.774480 0.461794
C -1.417929 -2.455144 1.913404
C -2.559235 -1.913797 1.286846
C -4.818102 -0.455754 -0.213439
C -5.693448 0.512255 -1.026846
C 1.352250 4.643207 -0.230162
C 4.522485 -2.388235 -1.245464
C -6.844844 -0.223811 -1.743663
C 1.634502 5.579370 -1.385002
C 5.063787 -1.784032 -2.522254
H 2.598353 0.877703 -0.572629
H 0.915341 0.808116 -1.105780
H 3.273250 0.076913 1.503234
H 2.248762 -1.002021 2.463247
H 0.265039 2.374994 0.837873
H 1.994073 2.483668 1.280361
H 3.949462 -2.387077 1.387163
H 2.430472 -2.717443 0.486886
H -1.001488 0.687204 -0.347357
H 0.711922 -2.390827 2.244450
H -1.534168 -3.338441 2.551796
H -3.552788 -2.341795 1.418406
H -3.197367 0.671556 -0.790835
H -5.086030 1.087810 -1.752976
H -6.118560 1.247251 -0.313728
H -7.392843 -0.849873 -1.019945
H -7.548183 0.496262 -2.197857
H -6.461913 -0.886252 -2.540181
H 1.609643 5.047905 -2.347500
H 2.635894 6.028003 -1.252865
H 0.901007 6.401708 -1.380337
H 5.157791 -0.690825 -2.440679
H 4.372693 -2.013612 -3.353993
H 6.038214 -2.238204 -2.760688


