%chk=000014763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014763

1 1
 O    6.189200       3.588600     -0.4128000    
 N    4.689100      -1.009900      0.1018000    
 N    6.854400     -0.5534000     -0.8023000    
 C    5.863000     -9.2500001E-02  0.2227000    
 C    3.468500     -0.9392000      0.9098000    
 C    2.253500     -0.7251000      1.3700000E-02
 C   0.9454000     -0.5882000      0.8031000    
 C    5.450300       1.339200     -0.1027000    
 C  -0.2805000     -0.3605000     -8.8600002E-02
 C   -1.595100     -0.2916000      0.6930000    
 C   -2.825000     -0.1251000     -0.2053000    
 C    6.492600     -0.2200000       1.606100    
 C   -4.138300     -3.0200001E-02  0.5744000    
 C    4.948800      -1.847900     -0.8201000    
 C   -5.338100      6.2600002E-02 -0.3712000    
 C   -6.655900      0.1196000      0.4051000    
 C    6.284100      -1.561300      -1.373200    
 C    6.645800       2.275200     -0.1206000    
 C   -7.854800      0.1793000     -0.5434000    
 C   -9.204200      0.2153000      0.1809000    
 C   -10.44000      0.2982000     -0.7182000    
 C   -11.75290      0.2669000      4.7800001E-02
 H    3.570400     -0.1217000       1.629900    
 H    3.388400      -1.878500       1.467500    
 H    2.396100      0.1779000     -0.5947000    
 H    2.149900      -1.559900     -0.6914000    
 H   0.7932000      -1.495800       1.400200    
 H    1.034500      0.2459000       1.509900    
 H    4.951000       1.390400      -1.080700    
 H    4.710700       1.714800      0.6167000    
 H  -0.1470000      0.5685000     -0.6562000    
 H  -0.3436000      -1.173600     -0.8223000    
 H   -1.548400      0.5447000       1.401100    
 H   -1.709200      -1.205600       1.288900    
 H   -2.703700      0.7768000     -0.8180000    
 H   -2.874900     -0.9742000     -0.8984000    
 H    5.854500      0.2108000       2.385700    
 H    7.470300      0.2705000       1.658100    
 H    6.664000      -1.271500       1.869000    
 H   -4.113500      0.8476000       1.231200    
 H   -4.244700     -0.9127000       1.216900    
 H    4.316600      -2.666900      -1.173600    
 H   -5.242200      0.9552000      -1.001100    
 H   -5.345300     -0.8065000      -1.040300    
 H   -6.661300      0.9987000       1.060500    
 H   -6.743600     -0.7645000       1.048100    
 H    6.679300      -2.186500      -2.184300    
 H    7.372600       1.993400     -0.8882000    
 H    7.147900       2.315400      0.8494000    
 H   -7.834700     -0.6908000      -1.211300    
 H   -7.769200       1.068600      -1.180000    
 H   -9.286000     -0.6818000      0.8078000    
 H   -9.213000       1.072100      0.8668000    
 H   -10.42560     -0.5372000      -1.428100    
 H   -10.39370       1.219300      -1.311100    
 H    6.970100       4.168000     -0.4200000    
 H   -11.81790       1.108500      0.7446000    
 H   -11.84900     -0.6611000      0.6201000    
 H   -12.59870      0.3303000     -0.6438000    


%chk=000014763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014763

1 1
O 5.486192 3.539403 -0.861486
N 4.844049 -1.151471 0.234881
N 6.959387 -0.510354 -0.624858
C 5.914786 -0.040482 0.299599
C 3.547276 -1.126900 0.959421
C 2.353059 -0.760644 0.034865
C 1.018251 -0.810513 0.813389
C 5.291488 1.289628 -0.220646
C -0.187574 -0.440185 -0.082968
C -1.537434 -0.539509 0.665609
C -2.742840 -0.152764 -0.221772
C 6.485602 0.044394 1.738558
C -4.097451 -0.279689 0.512836
C 5.264361 -2.079753 -0.613642
C -5.302388 0.116651 -0.371218
C -6.659470 -0.025276 0.355948
C 6.574638 -1.668737 -1.137201
C 6.305716 2.439990 -0.349648
C -7.863909 0.376136 -0.526822
C -9.222436 0.227352 0.195969
C -10.426885 0.631851 -0.686285
C -11.780206 0.478628 0.041054
H 3.636826 -0.396385 1.780194
H 3.382602 -2.125166 1.404158
H 2.500300 0.248942 -0.391589
H 2.313971 -1.473878 -0.812610
H 0.866234 -1.827285 1.230222
H 1.057525 -0.114973 1.676295
H 4.845047 1.122168 -1.217802
H 4.487894 1.607824 0.468148
H -0.058043 0.590645 -0.471014
H -0.211808 -1.109993 -0.967234
H -1.514849 0.117715 1.559370
H -1.676117 -1.574703 1.040273
H -2.617016 0.889539 -0.580997
H -2.756839 -0.796018 -1.126152
H 5.731851 0.454528 2.430985
H 7.358373 0.714644 1.730467
H 6.817293 -0.944919 2.095103
H -4.085512 0.356768 1.421986
H -4.229363 -1.324116 0.864203
H 4.697177 -2.982980 -0.844948
H -5.178235 1.164848 -0.714122
H -5.310272 -0.512098 -1.285932
H -6.653179 0.599987 1.272998
H -6.787425 -1.074433 0.694741
H 7.175476 -2.228225 -1.855079
H 7.113761 2.162071 -1.054889
H 6.754811 2.695568 0.632246
H -7.868717 -0.245336 -1.446616
H -7.740083 1.427161 -0.861546
H -9.350484 -0.823937 0.528444
H -9.220422 0.847055 1.116958
H -10.428016 0.013542 -1.607117
H -10.299505 1.682757 -1.017056
H 6.014531 4.374747 -0.911605
H -11.818258 1.111132 0.947906
H -11.946191 -0.568929 0.355645
H -12.623351 0.772576 -0.610717


