%chk=000087880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087880

0 1
 O  -0.5883000      0.9932000       2.721700    
 O    3.867900      -2.082100      9.8999999E-02
 N   -1.623300     -0.1174000     -0.6947000    
 N    2.210900       3.127500     -0.7241000    
 C   -3.410600      -1.516300      0.5700000    
 C   -4.037100     -0.7945000     -0.6459000    
 C   -1.752400      0.3709000      0.7040000    
 C   -2.741400     -0.4987000       1.510200    
 C   -2.943800      4.0199999E-02  -1.353000    
 C   -2.285000      -2.416700      3.0800000E-02
 C   -1.262000      -1.552400     -0.7219000    
 C   -5.245100      6.1299998E-02 -0.2690000    
 C  -0.3966000      0.4868000       1.404600    
 C   0.5482000       1.389300      0.6518000    
 C   -5.898900      0.6655000      -1.496500    
 C    1.781700      0.9362000      0.1825000    
 C   0.1414000       2.693200      0.4412000    
 C    2.596000       1.854700     -0.5128000    
 C    2.215200     -0.3850000      0.3846000    
 C    1.006000       3.518300     -0.2491000    
 C    3.828200       1.410800     -0.9850000    
 C    3.452200     -0.8022000     -9.8499998E-02
 C    4.259400      9.7099997E-02 -0.7841000    
 C    2.859000      -3.088100      0.1811000    
 C    3.418600      -4.391900     -0.3468000    
 H   -4.154500      -2.114000       1.107300    
 H   -4.381000      -1.568200      -1.347400    
 H   -2.201300       1.373500      0.6741000    
 H   -3.496300      0.1352000       1.989000    
 H   -2.236400      -1.042700       2.318400    
 H   -2.866000     -0.2668000      -2.404000    
 H   -3.183700       1.109300      -1.380600    
 H   -2.697700      -3.180100     -0.6395000    
 H   -1.793800      -2.943300      0.8579000    
 H  -0.2631000      -1.716800     -0.3116000    
 H   -1.192600      -1.888900      -1.764500    
 H   -4.963200      0.8713000      0.4125000    
 H   -5.981000     -0.5584000      0.2571000    
 H  -2.1800000E-02 -0.5193000       1.570000    
 H   -5.259400       1.396800      -1.998000    
 H   -6.170200     -0.1086000      -2.221800    
 H   -6.818500       1.185700      -1.208100    
 H   0.2850000       1.198000       3.097600    
 H  -0.7999000       3.086700      0.8064000    
 H    1.637400      -1.091800      0.9614000    
 H   0.7494000       4.554500     -0.4439000    
 H    4.479100       2.095800      -1.525300    
 H    5.227300     -0.2143000      -1.167200    
 H    2.555900      -3.210800       1.226700    
 H    1.983000      -2.841000     -0.4311000    
 H    2.672900      -5.190000     -0.2896000    
 H    3.738400      -4.281000      -1.388300    
 H    4.301800      -4.692500      0.2265000    


%chk=000087880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087880

0 1
O -0.953362 1.157111 2.888668
O 3.625976 -1.972582 -0.927863
N -1.428855 -0.687984 -0.338585
N 2.236432 3.437543 -0.316162
C -3.639824 -1.431799 0.796088
C -3.948766 -0.897486 -0.639210
C -1.737390 0.223201 0.814804
C -2.916119 -0.361975 1.663472
C -2.557937 -0.579164 -1.318391
C -2.690622 -2.652220 0.664381
C -1.324559 -2.115184 0.106440
C -4.923151 0.306285 -0.645852
C -0.458156 0.539965 1.637872
C 0.496438 1.492268 0.915280
C -5.448047 0.652662 -2.056956
C 1.662527 1.053724 0.185540
C 0.243344 2.871528 0.982469
C 2.508876 2.080079 -0.400627
C 2.025247 -0.322276 0.013399
C 1.123889 3.800153 0.353935
C 3.690997 1.688716 -1.113890
C 3.185044 -0.663001 -0.693151
C 4.029997 0.349648 -1.256771
C 2.806264 -3.081337 -0.400950
C 3.503562 -4.377992 -0.802569
H -4.583945 -1.733504 1.287518
H -4.439921 -1.723000 -1.197419
H -2.061690 1.181003 0.365087
H -3.598493 0.445660 1.976991
H -2.539374 -0.830005 2.591728
H -2.346794 -1.274107 -2.151653
H -2.548200 0.446028 -1.733473
H -3.130382 -3.406871 -0.015911
H -2.551639 -3.134660 1.650515
H -0.537209 -2.188734 0.878865
H -0.985957 -2.708706 -0.762827
H -4.423700 1.195829 -0.211016
H -5.784543 0.079712 0.015701
H 0.065658 -0.405405 1.891650
H -4.621282 0.902090 -2.748182
H -6.001473 -0.201044 -2.492214
H -6.132184 1.520540 -2.029634
H -0.175141 1.499220 3.398302
H -0.631131 3.236098 1.530935
H 1.364041 -1.098452 0.400458
H 0.918458 4.876121 0.405931
H 4.306169 2.486695 -1.539865
H 4.925895 0.033216 -1.799394
H 2.729993 -2.988458 0.702544
H 1.785840 -3.018816 -0.832275
H 2.931841 -5.247849 -0.430996
H 3.582281 -4.453712 -1.900417
H 4.521078 -4.420773 -0.378219


