%chk=000096728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096728

0 1
 O    2.000300     -0.1459000      1.9000000E-03
 N    1.678300      -2.384500       0.000000    
 C   -2.959800     -0.1200000      6.0000003E-04
 C  -0.2613000     -0.8271000      1.3000000E-03
 C   -4.359500      0.2468000     -3.0000001E-04
 C    1.134100      -1.192700      1.4000000E-03
 C   -1.979300      0.8718000      1.5000000E-03
 C   -2.591600      -1.465300      9.9999997E-05
 C  -0.6300000      0.5183000      1.7000000E-03
 C   -1.242300      -1.818900      3.9999999E-04
 C    3.221300     -0.7495000      6.9999998E-04
 C    4.360400      0.1191000     -5.0000002E-04
 C   -5.034800      0.4240000       1.207400    
 C   -5.033600      0.4239000      -1.208600    
 C    3.021400      -2.107500     -3.0000001E-04
 C    5.655300     -0.4132000     -3.1000001E-03
 C    4.191500       1.508900      2.0000001E-03
 C   -6.384000      0.7779000       1.206800    
 C   -6.382900      0.7779000      -1.209100    
 C   -7.058000      0.9548000     -1.4000000E-03
 C    6.765000      0.4319000     -3.1999999E-03
 C    5.301300       2.353900      1.7000000E-03
 C    6.588000       1.815400     -7.9999998E-04
 H   -2.249700       1.925200      1.8000000E-03
 H   -3.343600      -2.250800     -6.9999998E-04
 H   0.1039000       1.320100      2.0999999E-03
 H  -0.9785000      -2.873800       0.000000    
 H   -4.524400      0.2901000       2.158400    
 H   -4.522400      0.2900000      -2.159100    
 H    3.756300      -2.899200     -1.7000000E-03
 H    5.824600      -1.487300     -4.9000001E-03
 H    3.204800       1.965800      4.1999999E-03
 H   -6.909800      0.9157000       2.147000    
 H   -6.907900      0.9158000      -2.149900    
 H   -8.108400       1.230500     -1.9000000E-03
 H    7.767100      1.3000000E-02 -5.1000002E-03
 H    5.164100       3.431400      3.5999999E-03
 H    7.452000       2.473400     -8.9999998E-04


%chk=000096728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096728

0 1
O 2.082530 -0.020759 -0.000086
N 1.696332 -2.276937 -0.001614
C -3.077154 -0.094686 -0.000254
C -0.291916 -0.719589 -0.000536
C -4.543223 0.233538 -0.000173
C 1.123454 -1.066010 -0.000762
C -2.100697 0.937182 0.000157
C -2.634659 -1.445676 -0.000788
C -0.724548 0.634347 0.000016
C -1.262350 -1.758923 -0.000923
C 3.344123 -0.671102 -0.000563
C 4.549845 0.149450 -0.000116
C -5.248640 0.390600 1.222063
C -5.249111 0.388889 -1.222352
C 3.080967 -2.040693 -0.001417
C 5.834233 -0.466193 -0.001452
C 4.467142 1.570282 0.001665
C -6.629068 0.696351 1.222265
C -6.629537 0.694651 -1.222453
C -7.324156 0.849535 -0.000071
C 7.002347 0.320955 -0.000978
C 5.640373 2.352412 0.002110
C 6.913312 1.734429 0.000806
H -2.427450 1.983089 0.000566
H -3.375872 -2.252547 -0.001074
H 0.017455 1.439127 0.000307
H -0.921716 -2.799390 -0.001327
H -4.712414 0.271561 2.170726
H -4.713251 0.268549 -2.171059
H 3.786867 -2.866551 -0.001813
H 5.917021 -1.558995 -0.002916
H 3.482586 2.048413 0.002707
H -7.159488 0.814079 2.174227
H -7.160309 0.811075 -2.174374
H -8.394227 1.086518 -0.000032
H 7.983542 -0.166620 -0.002033
H 5.562113 3.445315 0.003484
H 7.823443 2.344222 0.001164


