%chk=000096776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096776

0 1
 O   -3.124400     -0.9008000       1.211100    
 N    3.672300     -0.7098000     -0.4360000    
 N   -1.421500      -1.730900     -0.1455000    
 C   0.7787000     -0.7472000      0.3000000    
 C    1.942100     -0.8114000       1.333100    
 C    1.357300      -1.335000      -1.020300    
 C  -0.3546000      -1.669100      0.8044000    
 C    3.225500     -0.1390000      0.8329000    
 C    2.636700     -0.6208000      -1.463000    
 C   0.1638000      0.6543000      9.7999997E-02
 C   0.1596000       1.563900       1.150400    
 C  -0.3818000      0.9970000      -1.134800    
 C  -0.3964000       2.830100      0.9680000    
 C  -0.9377000       2.263100      -1.317200    
 C   -2.728600      -1.339900      0.1345000    
 C  -0.9450000       3.179700     -0.2658000    
 C   -3.646200      -1.484200      -1.049900    
 H    2.179200      -1.867100       1.533200    
 H    1.662300     -0.4007000       2.308400    
 H   0.6501000      -1.356700      -1.853500    
 H    1.608800      -2.393500     -0.8528000    
 H  -0.7352000      -1.327800       1.774500    
 H   6.2000002E-03  -2.695300      0.9410000    
 H    3.081900      0.9426000      0.7300000    
 H    4.015400     -0.2838000       1.578100    
 H    3.011900      -1.102000      -2.373200    
 H    2.441600      0.4268000      -1.718000    
 H    4.507700     -0.2189000     -0.7530000    
 H   -1.229600      -2.144800      -1.052900    
 H   0.5547000       1.328000       2.131300    
 H  -0.4242000      0.3218000      -1.980100    
 H  -0.4071000       3.542300       1.788000    
 H   -1.370100       2.534200      -2.276000    
 H   -1.380200       4.164600     -0.4070000    
 H   -4.683800      -1.354700     -0.7305000    
 H   -3.400700     -0.7228000      -1.795200    
 H   -3.537300      -2.477600      -1.494000    


%chk=000096776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096776

0 1
O -2.994020 -1.043777 1.516350
N 3.733699 -0.802769 -0.410780
N -1.494660 -1.768751 -0.113643
C 0.821675 -0.748588 0.202945
C 1.950121 -0.738296 1.287300
C 1.430120 -1.390912 -1.083335
C -0.312621 -1.685159 0.750440
C 3.247542 -0.075882 0.785485
C 2.766196 -0.751493 -1.529733
C 0.233476 0.666950 -0.018466
C -0.234368 1.412506 1.098224
C 0.074473 1.249727 -1.302631
C -0.819310 2.686436 0.943815
C -0.511605 2.526635 -1.465900
C -2.763827 -1.414024 0.324815
C -0.958171 3.256031 -0.342876
C -3.867363 -1.496853 -0.727324
H 2.184296 -1.786297 1.560519
H 1.602955 -0.226223 2.203425
H 0.713002 -1.365207 -1.927929
H 1.635803 -2.456222 -0.859587
H -0.679648 -1.322147 1.726519
H 0.119148 -2.695745 0.904050
H 3.049330 1.006070 0.583632
H 4.021325 -0.134074 1.573012
H 3.178092 -1.325738 -2.380785
H 2.584573 0.291347 -1.885385
H 4.675095 -0.504011 -0.696161
H -1.374129 -2.061609 -1.083529
H -0.165790 0.989393 2.106791
H 0.404765 0.713611 -2.197655
H -1.177405 3.228116 1.826461
H -0.617737 2.949038 -2.472039
H -1.412776 4.245332 -0.466507
H -4.701425 -2.098445 -0.328551
H -4.255428 -0.480845 -0.917482
H -3.534003 -1.933527 -1.685285


