%chk=000045404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045404

0 1
 O    3.507400     -0.5367000     -0.7811000    
 O   -3.507400     -0.5428000      0.7821000    
 N  -1.8000000E-03  0.2634000      1.7000000E-03
 C    1.165000     -0.5596000     -0.2796000    
 C   -1.168600     -0.5633000      0.2814000    
 C    2.387700      0.3093000     -0.5275000    
 C   -2.392700      0.3030000      0.5313000    
 C    4.735200     -5.9500001E-02 -0.4330000    
 C   -4.740900     -5.9500001E-02  0.4314000    
 C    5.527100     -0.7363000      0.4947000    
 C   -5.525400     -0.7351000     -0.4974000    
 C    5.198200       1.120200      -1.016100    
 C   -5.195600       1.116500       1.019100    
 C    6.781700     -0.2335000      0.8392000    
 C   -6.778700     -0.2290000     -0.8425000    
 C    5.047900      -2.000200       1.128900    
 C   -5.047700      -1.998100      -1.134500    
 C    6.452900       1.622900     -0.6717000    
 C   -6.448800       1.622500      0.6742000    
 C    7.244700      0.9461000      0.2560000    
 C   -7.240300      0.9498000     -0.2566000    
 H    1.374900      -1.239400      0.5561000    
 H   0.9912000      -1.190500      -1.160200    
 H   -1.377200      -1.234200     -0.5616000    
 H  -0.9946000      -1.203600       1.155400    
 H   0.1864000      0.8725000      0.7975000    
 H    2.576300      0.9455000      0.3478000    
 H    2.227900      0.9534000      -1.400300    
 H   -2.578200      0.9418000     -0.3428000    
 H   -2.233200      0.9454000       1.405500    
 H    4.596900       1.654300      -1.746800    
 H   -4.593900       1.646200       1.752200    
 H    7.411200     -0.7484000       1.560100    
 H   -7.408000     -0.7408000      -1.565800    
 H    4.128000      -1.816600       1.693800    
 H    4.853900      -2.759700      0.3643000    
 H    5.785300      -2.414500       1.824700    
 H   -5.785300      -2.409600      -1.831900    
 H   -4.127100      -1.814100      -1.698300    
 H   -4.855100      -2.759700     -0.3717000    
 H    6.814300       2.540300      -1.127200    
 H   -6.809200       2.539100       1.131800    
 H    8.221800       1.337400      0.5237000    
 H   -8.216300       1.343600     -0.5247000    


%chk=000045404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045404

0 1
O 3.645627 -0.589712 0.217544
O -3.640388 -0.589864 -0.074225
N -0.010233 0.041980 0.393323
C 1.244496 -0.731099 0.276879
C -1.251892 -0.730598 0.176600
C 2.431933 0.237748 0.233760
C -2.433151 0.238275 0.047385
C 4.890769 0.067821 0.169567
C -4.879280 0.066830 -0.211993
C 6.026651 -0.795281 0.161334
C -6.009401 -0.797485 -0.317149
C 5.036373 1.474970 0.133216
C -5.024418 1.474114 -0.245179
C 7.305605 -0.197092 0.115722
C -7.282101 -0.200533 -0.456160
C 5.839979 -2.298031 0.200536
C -5.823212 -2.300382 -0.278768
C 6.331815 2.041214 0.087960
C -6.313537 2.039105 -0.385582
C 7.470374 1.209293 0.079186
C -7.446306 1.205956 -0.491464
H 1.405239 -1.464501 1.101879
H 1.215584 -1.306133 -0.666470
H -1.150506 -1.300185 -0.765040
H -1.475079 -1.468418 0.982861
H -0.045588 0.569386 1.277452
H 2.437600 0.896320 1.129490
H 2.376361 0.872090 -0.672270
H -2.305376 0.880917 -0.845346
H -2.511533 0.887942 0.946113
H 4.161865 2.132275 0.136624
H -4.154227 2.132485 -0.166493
H 8.188146 -0.848178 0.108587
H -8.160055 -0.852644 -0.538300
H 5.287926 -2.608185 1.106921
H 5.241900 -2.648333 -0.660871
H 6.813380 -2.817445 0.187053
H -6.791993 -2.820877 -0.368020
H -5.163287 -2.641601 -1.097652
H -5.337819 -2.618328 0.662369
H 6.442453 3.130984 0.059025
H -6.423839 3.128974 -0.412021
H 8.474692 1.644426 0.043896
H -8.445649 1.640298 -0.600678


