%chk=000018890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018890

0 1
 O   -3.712000      -2.018100      0.3336000    
 O   -1.885700      -1.877900      -1.074200    
 O    7.169400      -1.875100      -1.209400    
 O    5.541200      -2.890700     -0.1435000    
 N  -6.8999999E-03  0.5571000       1.289000    
 N    3.308700       2.882100      0.2082000    
 N    6.072600      -1.850700     -0.6013000    
 C   -2.694900      8.9800000E-02  8.6000003E-02
 C   -2.424800      0.1690000       1.610500    
 C   -1.537900      0.8196000     -0.6435000    
 C   -1.002500     -0.2506000       1.999700    
 C  -0.1455000      0.3944000     -0.1608000    
 C   -4.051700      0.6738000     -0.3422000    
 C    1.344900      0.1994000       1.718200    
 C   -2.692100      -1.375300     -0.3033000    
 C    2.331200       1.087600       1.030800    
 C   -4.899500       1.228100      0.6130000    
 C   -4.425300      0.6454000      -1.683200    
 C    3.536600      0.6731000      0.4225000    
 C    2.207400       2.440300      0.8911000    
 C    4.137700       1.824400     -9.0899996E-02
 C   -6.129900       1.757700      0.2244000    
 C   -5.655800       1.175000      -2.071700    
 C   -6.508200       1.731200      -1.117900    
 C   -3.826800      -3.417000      5.4099999E-02
 C    4.186900     -0.5651000      0.2515000    
 C    5.361300       1.799200     -0.7695000    
 C    5.411300     -0.6057000     -0.4252000    
 C    5.987700      0.5595000     -0.9271000    
 C   -4.997500      -3.980500      0.8311000    
 H   -3.134500     -0.4401000       2.184700    
 H   -2.547500       1.205200       1.956000    
 H   -1.643500       1.903700     -0.4932000    
 H   -1.585600      0.6590000      -1.728300    
 H  -0.8578000      -1.321500       1.807400    
 H  -0.8926000     -0.1021000       3.081100    
 H   7.6600000E-02 -0.6370000     -0.4580000    
 H   0.5554000       1.023700     -0.7193000    
 H    1.449800      0.3511000       2.800200    
 H    1.555700     -0.8577000       1.514900    
 H   -4.664000       1.266100       1.670000    
 H   -3.780600      0.2118000      -2.442200    
 H    1.447100       3.139300       1.211600    
 H   -6.795600       2.188500      0.9668000    
 H   -5.951100       1.152900      -3.116600    
 H    3.488300       3.845100     -4.0100001E-02
 H   -7.466800       2.142500      -1.420200    
 H   -2.903900      -3.925700      0.3537000    
 H   -3.990500      -3.562100      -1.019600    
 H    3.722600      -1.462500      0.6501000    
 H    5.810500       2.706100      -1.160300    
 H    6.938800      0.5452000      -1.455400    
 H   -5.925000      -3.467900      0.5554000    
 H   -4.856500      -3.825800       1.905900    
 H   -5.114900      -5.050900      0.6404000    


%chk=000018890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018890

0 1
O -3.686720 -2.137192 0.511636
O -2.825253 -1.823547 -1.620787
O 7.961333 -1.539588 -0.426426
O 6.171568 -2.791799 0.228191
N -0.061871 0.311765 0.851512
N 3.374146 2.843778 0.129713
N 6.719218 -1.660436 -0.082280
C -2.904233 0.106467 -0.041382
C -2.474945 0.192410 1.448441
C -1.779938 0.756963 -0.907462
C -1.070886 -0.396437 1.678111
C -0.386147 0.182314 -0.594082
C -4.260684 0.806256 -0.326272
C 1.322610 -0.125853 1.155590
C -3.097331 -1.364542 -0.485384
C 2.356782 0.871691 0.689192
C -5.006692 1.458043 0.687094
C -4.776528 0.807863 -1.650816
C 3.748887 0.607547 0.365015
C 2.168352 2.242119 0.537599
C 4.361972 1.870714 0.016831
C -6.226421 2.106241 0.384352
C -5.995051 1.450917 -1.953687
C -6.726051 2.108043 -0.936559
C -4.036589 -3.543813 0.135469
C 4.531769 -0.567956 0.331876
C 5.722290 1.977337 -0.355566
C 5.884968 -0.442689 -0.041815
C 6.489287 0.803274 -0.383462
C -4.702251 -4.171713 1.355133
H -3.202440 -0.331296 2.091838
H -2.447749 1.259334 1.740295
H -1.785673 1.843830 -0.701905
H -1.994994 0.608425 -1.979324
H -1.084898 -1.496507 1.460829
H -0.796522 -0.278462 2.743120
H -0.341072 -0.887536 -0.919659
H 0.377189 0.731102 -1.173790
H 1.400070 -0.249260 2.254923
H 1.549374 -1.130697 0.713928
H -4.647510 1.463538 1.720090
H -4.229306 0.289150 -2.446777
H 1.258519 2.818320 0.687491
H -6.786207 2.606598 1.182899
H -6.374892 1.437337 -2.981539
H 3.497502 3.835566 -0.063489
H -7.671997 2.609272 -1.170129
H -3.108039 -4.064720 -0.160205
H -4.705249 -3.506701 -0.743454
H 4.132315 -1.554117 0.582486
H 6.172104 2.941120 -0.615486
H 7.545700 0.814826 -0.661626
H -5.613138 -3.615828 1.635304
H -4.017324 -4.179071 2.220320
H -4.987058 -5.215499 1.129083


