%chk=000096865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096865

0 1
 O    5.042400      -1.043300     -1.0000000E-03
 N    3.593600      0.8166000     -1.9999999E-04
 C  -9.9200003E-02  0.5011000     -5.0000002E-04
 C  -0.2419000     -0.9038000     -1.9999999E-04
 C   -2.536800      0.7488000     -3.0000001E-04
 C   -2.679500     -0.6561000      3.0000001E-04
 C   -1.248400       1.309100     -6.9999998E-04
 C   -1.530200      -1.464100      3.0000001E-04
 C    1.189300       1.060600     -8.9999998E-04
 C   0.9078000      -1.711000       0.000000    
 C    2.320800      0.2446000     -1.2000001E-03
 C    2.180300      -1.139400     -6.9999998E-04
 C   -3.686500       1.556000     -9.9999997E-05
 C   -3.968000      -1.215600      7.9999998E-04
 C   -4.958900      0.9843000      3.0000001E-04
 C   -5.099500     -0.3997000      6.9999998E-04
 C    4.834300      0.1657000      1.4000000E-03
 C    5.980200       1.146400      2.0000001E-03
 H   -1.138500       2.393600     -1.0000000E-03
 H   -1.640400      -2.548600      6.9999998E-04
 H    1.307800       2.143200     -1.0000000E-03
 H   0.8199000      -2.795700      3.9999999E-04
 H    3.006800      -1.836000     -3.9999999E-04
 H   -3.600200       2.640700     -5.0000002E-04
 H   -4.101600      -2.295500      1.2000001E-03
 H   -5.839300       1.620200      3.9999999E-04
 H   -6.089900     -0.8456000      1.1000000E-03
 H    3.612600       1.834300     -9.9999997E-05
 H    5.944900       1.756100     -0.9052000    
 H    6.930500      0.6062000      3.0999999E-02
 H    5.914000       1.794000      0.8809000    


%chk=000096865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096865

0 1
O 5.105577 -1.039117 0.004010
N 3.640755 0.804478 0.002986
C -0.099840 0.488245 0.001341
C -0.269307 -0.962756 0.000340
C -2.559097 0.767241 0.000505
C -2.726480 -0.684698 -0.000497
C -1.252401 1.314407 0.001388
C -1.574225 -1.509791 -0.000544
C 1.229997 1.027796 0.002226
C 0.912806 -1.785289 0.000329
C 2.354134 0.194366 0.002153
C 2.189922 -1.242167 0.001214
C -3.738134 1.597447 0.000568
C -4.060437 -1.229847 -0.001399
C -5.010394 1.034026 -0.000327
C -5.174372 -0.395914 -0.001326
C 4.909303 0.210241 0.002871
C 6.054290 1.225580 -0.001714
H -1.131578 2.405448 0.002133
H -1.696409 -2.600487 -0.001270
H 1.351052 2.119913 0.002949
H 0.792899 -2.875262 -0.000367
H 3.081782 -1.870660 0.001395
H -3.614296 2.687254 0.001326
H -4.182786 -2.319770 -0.002147
H -5.897696 1.676863 -0.000279
H -6.183613 -0.822048 -0.002019
H 3.632365 1.827757 0.003034
H 6.033920 1.848063 -0.915702
H 7.006740 0.677644 0.029680
H 6.001921 1.898139 0.874644


