%chk=000047637.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047637

0 1
 O   -5.641900     -0.1819000      0.1495000    
 O   -2.972100       2.902900      0.2899000    
 O  -0.8046000       2.596700      0.1251000    
 O   -5.735200      -2.442100     -6.9700003E-02
 N   0.2215000      0.2409000     -0.1728000    
 N    2.952700      0.8918000     -0.1732000    
 N   -1.977900       2.145300      0.1528000    
 N   -4.991200      -1.437800     -1.5699999E-02
 N   -4.667300      0.8019000      0.1864000    
 C   0.9534000      0.3221000       1.104200    
 C    1.028500     -1.8500000E-02  -1.375800    
 C    2.143900       1.280200      0.9855000    
 C    2.215200      0.9453000      -1.435700    
 C   -1.110600     -0.1884000     -0.1328000    
 C    4.111600      0.1396000     -1.6400000E-02
 C   -2.184300      0.7517000      2.7100001E-02
 C   -1.399200      -1.604900     -0.2556000    
 C   -3.477700      0.1983000      5.2400000E-02
 C   -3.679200      -1.226200     -7.6499999E-02
 C    4.252800     -0.7828000       1.047100    
 C    5.198500      0.2655000     -0.9135000    
 C   -2.683000      -2.182200     -0.2332000    
 C    5.415400      -1.537500       1.204400    
 C    6.361100     -0.4890000     -0.7561000    
 C    6.469600      -1.390800      0.3027000    
 H    1.279400     -0.6849000       1.386600    
 H   0.2959000      0.6826000       1.904900    
 H   0.4201000      0.1117000      -2.278800    
 H    1.387900      -1.054800      -1.358800    
 H    1.782800       2.304400      0.8314000    
 H    2.724700       1.303600       1.914900    
 H    2.846800      0.7013000      -2.296900    
 H    1.852000       1.968900      -1.592300    
 H  -0.5550000      -2.288300     -0.3689000    
 H   -2.850500      -3.246200     -0.3269000    
 H    3.459200     -0.9349000       1.772500    
 H    5.143800      0.9702000      -1.740700    
 H    5.500000      -2.240000       2.028300    
 H    7.183100     -0.3728000      -1.456400    
 H    7.375000      -1.978000      0.4254000    


%chk=000047637-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047637

0 1
O -5.655861 -0.164475 0.852133
O -2.631251 2.311292 1.867539
O -0.737242 2.470948 0.598521
O -6.024843 -2.095138 -0.693584
N 0.248282 -0.086446 -0.216466
N 2.968048 0.918811 -0.348212
N -1.788053 1.813947 1.018099
N -5.195989 -1.274627 -0.204466
N -4.512350 0.583857 1.211158
C 0.976997 0.323483 1.013984
C 1.147582 -0.486125 -1.326646
C 2.044602 1.404833 0.694431
C 2.215879 0.624520 -1.577723
C -1.124598 -0.265414 -0.284379
C 4.147537 0.198033 -0.020738
C -2.081270 0.509257 0.458422
C -1.613838 -1.361580 -1.117929
C -3.460738 0.066814 0.503703
C -3.862463 -1.037163 -0.338207
C 4.514582 -0.070613 1.333728
C 5.042452 -0.237043 -1.046693
C -2.941385 -1.745508 -1.160671
C 5.717978 -0.741339 1.638434
C 6.235674 -0.914443 -0.729025
C 6.588947 -1.176891 0.615602
H 1.494018 -0.581074 1.401121
H 0.273900 0.671042 1.780309
H 0.562905 -0.619020 -2.250741
H 1.670455 -1.435005 -1.083970
H 1.528775 2.303829 0.322527
H 2.590513 1.685659 1.606845
H 2.880528 0.287614 -2.386508
H 1.701361 1.543414 -1.914962
H -0.885147 -1.956054 -1.673574
H -3.279383 -2.591180 -1.766015
H 3.867903 0.236290 2.160975
H 4.830275 -0.015343 -2.097526
H 5.968681 -0.929981 2.688674
H 6.902296 -1.226310 -1.541265
H 7.519442 -1.699968 0.857495


