%chk=000096781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096781

0 1
 O   0.5260000       1.043600     -0.2483000    
 N    2.901400     -0.3198000      2.6799999E-02
 N    1.665400     -0.9266000      0.1635000    
 N  -0.6196000     -0.9586000      0.1844000    
 N   -7.126300      0.8985000     -0.1692000    
 C    5.723300       1.001300      0.5908000    
 C    5.436000      0.9254000     -0.9071000    
 C    4.509100      0.8218000       1.497700    
 C    5.048500     -0.4827000      -1.348500    
 C    3.680100     -0.4429000       1.257400    
 C    3.564900     -0.8229000      -1.176700    
 C   0.5135000     -0.1586000      7.4000000E-03
 C   -1.977700     -0.5710000      0.1109000    
 C   -2.966100      -1.519200      0.3189000    
 C   -2.292100      0.7490000     -0.1685000    
 C   -4.305700      -1.137000      0.2456000    
 C   -3.631600       1.131400     -0.2417000    
 C   -4.638300      0.1883000     -3.4699999E-02
 C   -6.010700      0.5800000     -0.1088000    
 H    6.481600      0.2534000      0.8547000    
 H    6.171700       1.978300      0.8103000    
 H    4.672900       1.656400      -1.198000    
 H    6.356700       1.205700      -1.434200    
 H    3.861900       1.704800       1.411600    
 H    4.862800      0.8104000       2.536600    
 H    5.662600      -1.221800     -0.8188000    
 H    5.292900     -0.5953000      -2.412500    
 H    4.300900      -1.347200       1.272800    
 H    3.002000     -0.5283000       2.118300    
 H    3.026600     -0.4210000      -2.045500    
 H    3.473000      -1.916400      -1.240600    
 H    1.626400      -1.918100      0.3774000    
 H  -0.4535000      -1.940200      0.3922000    
 H   -2.717700      -2.554000      0.5377000    
 H   -1.572700       1.535700     -0.3406000    
 H   -5.079200      -1.883700      0.4095000    
 H   -3.876600       2.168100     -0.4609000    


%chk=000096781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096781

0 1
O 0.909850 0.567011 0.011095
N 3.156021 -1.235553 0.188132
N 1.790713 -1.593933 0.267900
N -0.530965 -1.306933 0.185107
N -6.868081 1.392813 -0.082381
C 5.338970 1.320406 0.533718
C 5.418163 0.974040 -0.969953
C 3.971408 1.029230 1.195646
C 5.052169 -0.487993 -1.326875
C 3.676778 -0.482548 1.375201
C 3.549910 -0.823139 -1.191448
C 0.735803 -0.679138 0.141363
C -1.804201 -0.696270 0.124616
C -2.944301 -1.547550 0.202946
C -1.992179 0.708754 -0.009616
C -4.241458 -1.016292 0.149667
C -3.294543 1.233883 -0.061588
C -4.435398 0.387320 0.016482
C -5.762275 0.936407 -0.037720
H 6.124442 0.756490 1.080885
H 5.582377 2.394461 0.659136
H 4.744083 1.649836 -1.535430
H 6.446106 1.184326 -1.327910
H 3.141977 1.500669 0.637272
H 3.972393 1.481123 2.208208
H 5.648714 -1.201423 -0.723851
H 5.330713 -0.664653 -2.384247
H 4.607954 -0.981171 1.717644
H 2.925371 -0.624436 2.171876
H 2.949396 0.046832 -1.538441
H 3.304805 -1.679057 -1.849350
H 1.604621 -2.593493 0.387742
H -0.542057 -2.325894 0.273133
H -2.810865 -2.631920 0.306255
H -1.119061 1.359838 -0.071632
H -5.109535 -1.679798 0.210740
H -3.435420 2.314555 -0.164424


