%chk=000027388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027388

0 1
 O   -3.285200       1.565100     -0.3453000    
 O    1.991300      -2.001400     -0.3048000    
 N   -4.744700      4.9500000E-02  0.6337000    
 N   3.7200000E-02 -0.6397000       1.103200    
 N    1.293000     -0.1111000      0.8458000    
 N    6.005600      0.9152000     -0.4931000    
 C   -2.380100     -0.3123000      0.8879000    
 C   -5.960700      0.6967000      0.2027000    
 C  -0.9948000      0.2261000      0.5463000    
 C   -6.441400      0.1869000      -1.150700    
 C   -3.490800      0.5505000      0.3154000    
 C   -6.754400      -1.302600      -1.140800    
 C    2.201700     -0.8724000      0.1319000    
 C    3.532200     -0.2471000     -8.6499996E-02
 C    4.628900      -1.058000     -0.2568000    
 C    3.627200       1.123900     -0.1122000    
 C    5.845900     -0.4268000     -0.4574000    
 C    4.889100       1.657500     -0.3193000    
 H   -2.511800     -0.3584000       1.976100    
 H   -2.499700      -1.327900      0.4905000    
 H   -5.794200       1.778300      0.1517000    
 H   -6.717100      0.5101000      0.9723000    
 H  -0.8932000       1.245900      0.9399000    
 H  -0.8841000      0.2852000     -0.5439000    
 H   -7.343700      0.7385000      -1.438900    
 H   -5.683000      0.3857000      -1.917200    
 H   -4.821100     -0.8018000       1.182800    
 H  -6.2799998E-02 -0.6856000       2.116700    
 H   -7.504600      -1.540600     -0.3799000    
 H   -7.150200      -1.609800      -2.114100    
 H   -5.858900      -1.899500     -0.9416000    
 H    1.513600      0.7863000       1.264900    
 H    4.572600      -2.140100     -0.2346000    
 H    2.784200       1.796300     -1.2800000E-02
 H    6.754200      -1.003400     -0.5978000    
 H    5.038600       2.731500     -0.3592000    


%chk=000027388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027388

0 1
O -3.701607 1.807752 1.101459
O 1.897054 -2.119961 0.446804
N -4.744760 -0.234038 0.683571
N 0.016318 -0.324274 1.614987
N 1.269101 0.051807 1.094494
N 5.822440 0.695587 -1.221066
C -2.441474 -0.248147 1.568592
C -6.014177 0.357330 0.221814
C -1.143475 0.356178 0.994838
C -6.183707 0.331389 -1.316113
C -3.670779 0.537379 1.094145
C -6.246343 -1.091898 -1.911326
C 2.118979 -0.879064 0.491498
C 3.382644 -0.277474 -0.092336
C 4.525257 -1.108920 -0.191277
C 3.480358 1.046953 -0.591127
C 5.710522 -0.584429 -0.749220
C 4.708525 1.481783 -1.141227
H -2.415571 -0.179608 2.675997
H -2.497906 -1.320118 1.306834
H -6.019186 1.400328 0.582831
H -6.853605 -0.182912 0.702341
H -1.161730 1.456790 1.163119
H -1.092578 0.181163 -0.094432
H -7.117012 0.876403 -1.560759
H -5.352822 0.900302 -1.774336
H -4.643114 -1.249864 0.672414
H 0.009429 -0.320565 2.644416
H -7.070401 -1.678221 -1.461123
H -6.417700 -1.057785 -3.002181
H -5.301868 -1.644304 -1.746641
H 1.575465 1.031740 1.165131
H 4.465572 -2.144776 0.155384
H 2.622389 1.728658 -0.599195
H 6.612480 -1.200788 -0.830934
H 4.812082 2.496307 -1.542477


