%chk=000017227.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017227

0 1
 O   2.9000000E-03 -4.1000001E-02 -1.3000000E-03
 N   0.6954000      -2.168200      1.9999999E-04
 N  -0.6871000      -2.169100      1.9999999E-04
 C    2.357700     -0.3087000     -1.0000000E-03
 C   -2.351700     -0.3112000      3.9999999E-04
 C    1.046100     -0.9092000     -7.9999998E-04
 C   -1.047300     -0.9068000     -5.0000002E-04
 C    4.894700      0.8516000      6.9999998E-04
 C   -4.897700      0.8502000      9.9999997E-05
 C    2.489400       1.079900     -1.6000000E-03
 C   -2.492700       1.080800      3.9999999E-04
 C    3.494300      -1.117300      5.0000002E-04
 C   -3.495400      -1.117300      1.9999999E-04
 C    3.757900       1.660000     -8.9999998E-04
 C   -3.761600       1.659600      3.9999999E-04
 C    4.762900     -0.5372000      1.3000000E-03
 C   -4.764400     -0.5384000       0.000000    
 C    6.250700       1.472600      1.1000000E-03
 C   -6.254200       1.469700      5.0000002E-04
 H    1.627600       1.742300     -2.2000000E-03
 H   -1.631700       1.744900       0.000000    
 H    3.415100      -2.201600      1.6000000E-03
 H   -3.416400      -2.202000     -3.0000001E-04
 H    3.848100       2.743100      3.9999999E-04
 H   -3.852900       2.742700     -1.2000001E-03
 H    5.641000      -1.177500      4.3000001E-03
 H   -5.641900      -1.179600     -1.9000000E-03
 H    6.979400      0.8316000     -0.5066000    
 H    6.245700       2.432100     -0.5272000    
 H    6.587000       1.639600       1.029100    
 H   -6.592200       1.634600      -1.027300    
 H   -6.981500      0.8287000      0.5104000    
 H   -6.249600       2.430200      0.5271000    


%chk=000017227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017227

0 1
O -0.000436 0.132135 0.000240
N 0.716329 -2.034593 -0.000698
N -0.715803 -2.035384 0.002322
C 2.462221 -0.209905 -0.004448
C -2.463401 -0.211651 0.005128
C 1.109959 -0.750508 -0.001904
C -1.111153 -0.751845 0.002856
C 5.133531 0.803613 -0.014657
C -5.135173 0.801163 0.014791
C 2.698712 1.190976 -0.006413
C -2.700442 1.189184 0.006878
C 3.569233 -1.102137 -0.009536
C -3.570280 -1.104121 0.010199
C 4.018537 1.683281 -0.012907
C -4.020342 1.681083 0.013090
C 4.881710 -0.595395 -0.016120
C -4.882840 -0.597777 0.016500
C 6.552405 1.342095 0.007845
C -6.554165 1.339179 -0.008002
H 1.850779 1.883421 -0.006772
H -1.852648 1.881816 0.007269
H 3.382153 -2.180811 -0.012192
H -3.382959 -2.182775 0.013045
H 4.188124 2.766725 -0.017617
H -4.190136 2.764491 0.017623
H 5.726724 -1.294210 -0.023363
H -5.727589 -1.296918 0.023708
H 7.256341 0.648928 -0.485481
H 6.622016 2.321279 -0.498039
H 6.905157 1.483356 1.048337
H -6.907328 1.478783 -1.048585
H -7.257742 0.646529 0.486561
H -6.623892 2.319092 0.496438


