%chk=000031504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031504

0 1
 O   -5.147900       1.351500      3.4000000E-03
 O    5.237800     -0.9431000     -2.2000000E-03
 N   -2.792700       1.237900     -1.0000000E-03
 N    4.071000       1.105300      6.9999998E-04
 C   0.4472000      -2.362000      1.9999999E-04
 C   -1.243200     -0.6500000     -6.9999998E-04
 C    1.057000     -0.9758000     -3.0000001E-04
 C   -1.034300      -2.047500     -9.9999997E-05
 C   4.4700000E-02  9.9999998E-03 -7.9999998E-04
 C   -2.527100     -0.1307000     -6.9999998E-04
 C    2.398200     -0.6349000       0.000000    
 C   0.3730000       1.355400     -8.9999998E-04
 C   -2.094100      -2.937100      5.0000002E-04
 C    2.728800      0.7214000     -9.9999997E-05
 C   -3.602500      -1.024200      9.9999997E-05
 C    1.726300       1.706600     -5.0000002E-04
 C   -3.388200      -2.413300      6.9999998E-04
 C   -4.039900       1.878100     -5.0000002E-04
 C    5.205100      0.2832000      1.2000001E-03
 C   -3.898500       3.379600     -1.0000000E-03
 C    6.479500       1.089600      2.0999999E-03
 H   0.7271000      -2.908100      0.9056000    
 H   0.7273000      -2.908900     -0.9048000    
 H    3.110500      -1.446000      6.9999998E-04
 H  -0.3197000       2.179000     -1.1000000E-03
 H   -1.930400      -4.009000      1.1000000E-03
 H   -4.642600     -0.7307000     -1.9999999E-04
 H    1.995500       2.760800     -3.9999999E-04
 H   -4.240500      -3.087900      1.2000001E-03
 H   -2.009300       1.865600     -2.4000001E-03
 H    4.235600       2.109800      1.0000000E-03
 H   -3.370700       3.701600      0.9011000    
 H   -4.887900       3.845200     -1.9099999E-02
 H   -3.340100       3.699500     -0.8852000    
 H    6.531900       1.698400     -0.9049000    
 H    7.342700      0.4188000      3.0700000E-02
 H    6.507000       1.739700      0.8811000    


%chk=000031504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031504

0 1
O -5.224837 1.389221 -0.004124
O 5.298834 -0.927075 0.002545
N -2.875586 1.223084 -0.001756
N 4.138293 1.115412 0.002620
C 0.405804 -2.376603 0.000952
C -1.313249 -0.672877 0.000143
C 1.029844 -0.992478 0.001153
C -1.085536 -2.083890 0.000383
C 0.005139 0.009214 0.000871
C -2.654455 -0.183002 -0.000838
C 2.395435 -0.679587 0.001666
C 0.408311 1.369328 0.001496
C -2.147250 -3.002253 0.000025
C 2.779350 0.690121 0.002064
C -3.729243 -1.113565 -0.001172
C 1.778362 1.699469 0.002082
C -3.470871 -2.501261 -0.000676
C -4.081900 1.931095 -0.002385
C 5.301589 0.338311 0.001433
C -3.892850 3.450223 0.000152
C 6.590273 1.162084 -0.001979
H 0.712415 -2.964550 0.888026
H 0.713019 -2.964624 -0.885865
H 3.165471 -1.453265 0.001897
H -0.297936 2.207006 0.001804
H -1.956963 -4.080875 0.000247
H -4.752145 -0.734272 -0.001981
H 2.075277 2.756400 0.002569
H -4.318367 -3.195469 -0.000948
H -2.033737 1.797204 -0.001835
H 4.277636 2.128899 0.003061
H -3.363762 3.787115 0.911127
H -4.883598 3.925496 -0.026677
H -3.314096 3.787006 -0.880118
H 6.669519 1.779062 -0.916384
H 7.445195 0.472117 0.031409
H 6.643212 1.835579 0.873514


