%chk=000117217.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117217

0 1
 O  -0.7314000      0.1866000     -0.1591000    
 O    2.509500       1.316300     -0.2496000    
 O   -2.092700       1.003000      -1.818900    
 O    3.421700       2.183500       1.678000    
 N   -2.683500       1.153300      0.4195000    
 N    3.434100       3.372100     -0.2903000    
 C    1.437900     -0.9109000     -0.4658000    
 C   0.9941000      -2.157200      0.4120000    
 C   0.2113000     -0.2321000      -1.137100    
 C    2.155800      0.1267000      0.4488000    
 C   0.2094000      -3.227700     -0.3925000    
 C    2.404600      -1.321200      -1.597800    
 C    2.167800      -2.823600       1.153400    
 C  -0.3790000      -4.341400      0.4680000    
 C   -1.862100      0.8022000     -0.6310000    
 C    3.144800       2.277900      0.4869000    
 C   -3.954700       1.820100      0.2554000    
 C   -5.110000      0.8380000      0.1033000    
 C   -5.277700     -6.5399997E-02   1.316800    
 H   0.3150000      -1.778700       1.188900    
 H  -0.2724000     -0.9084000      -1.850700    
 H   0.5363000      0.6476000      -1.707900    
 H    3.084100     -0.2987000      0.8441000    
 H    1.507700      0.3896000       1.294300    
 H  -0.6311000      -2.761200     -0.9146000    
 H   0.8513000      -3.681200      -1.155700    
 H    1.946900      -2.044600      -2.279800    
 H    2.697900     -0.4555000      -2.203000    
 H    3.324900      -1.763100      -1.203200    
 H    1.813300      -3.604300       1.833700    
 H    2.713400      -2.118500       1.784600    
 H    2.874100      -3.287200      0.4583000    
 H   0.3982000      -4.997400      0.8698000    
 H   -1.047200      -4.964400     -0.1359000    
 H  -0.9600000      -3.932100       1.300300    
 H   -2.378000      0.9262000       1.361000    
 H   -4.103900       2.456200       1.134200    
 H   -3.903800       2.468000     -0.6264000    
 H   -6.037500       1.400700     -5.3300001E-02
 H   -4.956700      0.2145000     -0.7855000    
 H    3.184100       3.402800      -1.273100    
 H    3.906500       4.183300      9.3999997E-02
 H   -4.405400     -0.7107000       1.460200    
 H   -5.424800      0.5242000       2.227200    
 H   -6.152100     -0.7110000       1.186500    


%chk=000117217-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117217

0 1
O -0.925086 -0.477816 -0.220479
O 1.652724 1.147343 -0.366853
O -1.246760 1.652288 -1.226891
O 2.583899 2.486764 1.340649
N -2.373503 0.986339 0.720636
N 1.129403 3.339166 -0.314985
C 1.430811 -1.261466 -0.546693
C 1.242021 -2.564740 0.324832
C 0.097262 -0.853748 -1.232393
C 1.890016 -0.104002 0.378991
C 0.975521 -3.834574 -0.536651
C 2.471690 -1.454150 -1.683745
C 2.430930 -2.818066 1.288268
C 0.319429 -4.987890 0.255520
C -1.497271 0.806955 -0.323260
C 1.855732 2.360499 0.323803
C -3.190167 2.202678 0.862413
C -4.613258 2.067653 0.268385
C -5.470669 0.989476 0.964364
H 0.336035 -2.387100 0.943790
H -0.333049 -1.699441 -1.795625
H 0.251233 0.006593 -1.903265
H 2.960075 -0.182117 0.637326
H 1.297000 -0.076404 1.312895
H 0.314293 -3.588133 -1.390401
H 1.930812 -4.184811 -0.976701
H 2.098741 -2.136229 -2.468982
H 2.704880 -0.482664 -2.154434
H 3.413207 -1.877277 -1.290113
H 2.277379 -3.756348 1.850616
H 2.549679 -2.012236 2.033729
H 3.385311 -2.916162 0.736717
H 0.952614 -5.325955 1.096073
H 0.139493 -5.863657 -0.394903
H -0.654639 -4.671821 0.674473
H -2.493338 0.207359 1.368479
H -3.253066 2.454195 1.938811
H -2.649688 3.019024 0.353160
H -5.111273 3.053900 0.355267
H -4.526672 1.847411 -0.812537
H 0.402445 3.055029 -0.979124
H 1.210629 4.298655 0.009032
H -5.024558 -0.015786 0.847136
H -5.572400 1.196524 2.047113
H -6.487164 0.951043 0.533557


