%chk=000017328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017328

0 1
 O  -0.3362000       1.279900       1.688300    
 O    2.697400      -2.728200      0.7670000    
 O   0.6441000      -1.867600       1.224600    
 N   0.1825000      0.3415000     -0.4092000    
 N   -1.577700     -0.5658000      -1.728000    
 C    1.591600      0.5429000     -0.2105000    
 C   -2.109100      0.4472000      0.4318000    
 C  -0.3255000     -0.2715000      -1.557100    
 C  -0.6767000      0.7519000      0.6322000    
 C   -2.494700     -0.2213000     -0.7301000    
 C    2.372200     -0.4411000      0.3862000    
 C    2.159600       1.742600     -0.6256000    
 C   -3.055800      0.7999000       1.400900    
 C   0.5894000     -0.5799000      -2.724700    
 C   -3.846300     -0.5352000     -0.9142000    
 C    3.737600     -0.2229000      0.5700000    
 C    3.525000       1.960700     -0.4418000    
 C   -4.398900      0.4819000       1.204900    
 C   -4.794500     -0.1863000      4.8599999E-02
 C    4.313900      0.9781000      0.1559000    
 C    1.801900      -1.706800      0.8308000    
 H    1.553700       2.514800      -1.092100    
 H   -2.767700       1.317700       2.311500    
 H    1.377600      -1.268400      -2.408100    
 H    1.048700      0.3438000      -3.087400    
 H   3.0700000E-02  -1.040900      -3.544500    
 H   -4.170100      -1.052300      -1.814400    
 H    4.377700     -0.9620000       1.044700    
 H    3.973600       2.896000     -0.7635000    
 H   -5.136400      0.7537000       1.954400    
 H   -5.840600     -0.4343000     -0.1050000    
 H    5.376400       1.149600      0.3017000    
 H    2.306100      -3.576200       1.067200    


%chk=000017328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017328

0 1
O -0.155181 1.023480 1.765347
O 2.818891 -2.521278 1.519178
O 0.807207 -2.335138 0.385887
N 0.148561 0.277532 -0.441396
N -1.671980 -0.452318 -1.833002
C 1.576446 0.493860 -0.275274
C -2.114340 0.381446 0.465855
C -0.377465 -0.262869 -1.638526
C -0.676531 0.593627 0.695537
C -2.563772 -0.128869 -0.793704
C 2.428740 -0.488871 0.305442
C 2.098809 1.748395 -0.650685
C -3.048344 0.679740 1.492284
C 0.594905 -0.647712 -2.724502
C -3.956778 -0.326887 -1.003528
C 3.803161 -0.183315 0.488476
C 3.469716 2.035463 -0.476074
C -4.420458 0.479215 1.271086
C -4.872267 -0.025002 0.017906
C 4.324076 1.065180 0.095663
C 1.906400 -1.825331 0.709684
H 1.417562 2.499755 -1.062683
H -2.666463 1.064243 2.443739
H 1.254816 -1.466127 -2.383148
H 1.238975 0.195563 -3.030435
H 0.014352 -0.996865 -3.589938
H -4.279980 -0.720269 -1.971930
H 4.447495 -0.938964 0.944728
H 3.863321 3.013300 -0.772895
H -5.144271 0.708594 2.060219
H -5.943859 -0.180894 -0.149415
H 5.386795 1.283859 0.241956
H 2.420962 -3.401043 1.758649


