%chk=000031925.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031925

0 1
 O   -4.196700       3.139400     -0.1751000    
 N  -0.5558000      -2.451800      0.1504000    
 N    1.597800     -0.7087000     -0.8450000    
 N   -3.862600      0.3190000      1.2900000E-02
 C   0.2548000      -2.821700      -1.021100    
 C   0.2528000      -1.628900       1.064200    
 C    1.342800      -3.804300     -0.5359000    
 C    1.340200      -2.544900       1.667200    
 C   0.8410000      -1.586600      -1.743000    
 C   0.8394000     -0.3801000      0.3664000    
 C    2.189300      -3.271300      0.6220000    
 C   -1.829700      -1.834400     -0.2039000    
 C    2.052300      0.4954000      -1.533400    
 C   -2.712500      -1.598000       1.023500    
 C   -4.062500     -0.9683000      0.6754000    
 C    2.947700       1.335500     -0.6620000    
 C   -5.150600      0.9169000     -0.3649000    
 C   -3.114200       1.240900      0.8787000    
 C    2.389800       2.316300      0.1462000    
 C    4.318300       1.117200     -0.6789000    
 C   -4.916900       2.263700      -1.043300    
 C   -2.929100       2.580500      0.1719000    
 C    3.219200       3.094600      0.9538000    
 C    5.147500       1.895500      0.1288000    
 C    4.597900       2.884100      0.9452000    
 H  -0.3666000      -3.373000      -1.739100    
 H  -0.3168000      -1.286800       1.931500    
 H   0.8517000      -4.729300     -0.2036000    
 H    1.997500      -4.087200      -1.368800    
 H    1.994900      -1.971200       2.334300    
 H   0.8490000      -3.301000       2.295100    
 H    1.501100      -1.935200      -2.547400    
 H   2.8500000E-02  -1.028700      -2.226500    
 H   2.8300000E-02  0.3213000      0.1358000    
 H    1.484800      9.5600002E-02   1.111800    
 H    2.729500      -4.099400       1.096000    
 H    2.963500      -2.597800      0.2380000    
 H   -2.373500      -2.505200     -0.8815000    
 H   -1.680000     -0.8986000     -0.7511000    
 H   -2.919200      -2.574600       1.484000    
 H   -2.237500      -1.017500       1.815200    
 H    1.204100       1.100400      -1.883400    
 H    2.610500      0.2201000      -2.438600    
 H   -4.605900      -1.648600      7.7000000E-03
 H   -4.662000     -0.8626000       1.588600    
 H   -5.778800       1.060700      0.5239000    
 H   -5.687200      0.2584000      -1.057500    
 H   -3.649600       1.397400       1.824300    
 H   -2.108700      0.8817000       1.108600    
 H    1.319400       2.501600      0.1541000    
 H    4.756600      0.3483000      -1.308800    
 H   -5.876900       2.737400      -1.271900    
 H   -4.369200       2.151800      -1.987100    
 H   -2.425900       3.288000      0.8387000    
 H   -2.313200       2.480300     -0.7304000    
 H    2.791600       3.866400       1.587100    
 H    6.221100       1.731400      0.1227000    
 H    5.243800       3.490400       1.573600    


%chk=000031925-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031925

0 1
O -5.102564 3.008677 0.287181
N -0.506548 -2.229013 0.098717
N 1.755388 -0.568499 -0.844759
N -4.217961 0.239577 0.121907
C 0.367802 -2.665812 -1.030075
C 0.319446 -1.423105 1.049687
C 1.396156 -3.686202 -0.477315
C 1.343521 -2.375668 1.722496
C 1.001822 -1.452641 -1.770373
C 0.957499 -0.187341 0.349339
C 2.234062 -3.123834 0.698539
C -1.802533 -1.617312 -0.295431
C 2.319804 0.607839 -1.542376
C -2.879884 -1.813746 0.793201
C -4.248973 -1.221127 0.398391
C 3.395864 1.335848 -0.741194
C -5.460048 0.700029 -0.551733
C -3.966524 1.059736 1.334476
C 3.476691 2.749839 -0.764458
C 4.364127 0.609510 -0.002239
C -5.344619 2.189496 -0.911872
C -3.875153 2.547418 0.956361
C 4.507798 3.427402 -0.073006
C 5.392155 1.282090 0.693568
C 5.470261 2.694976 0.658701
H -0.271456 -3.193803 -1.765167
H -0.349585 -1.033320 1.841408
H 0.819597 -4.566376 -0.132173
H 2.063972 -4.024587 -1.294096
H 1.975800 -1.805908 2.431809
H 0.760215 -3.110619 2.310644
H 1.696744 -1.813128 -2.554388
H 0.180124 -0.891294 -2.290301
H 0.140898 0.529382 0.064993
H 1.617848 0.345584 1.058113
H 2.772064 -3.950123 1.203950
H 2.987775 -2.424373 0.299443
H -2.142909 -2.124242 -1.220708
H -1.737415 -0.533401 -0.540739
H -3.004094 -2.897983 0.976478
H -2.534986 -1.380820 1.752541
H 1.520921 1.340921 -1.831006
H 2.763043 0.239016 -2.490446
H -4.596757 -1.718950 -0.529042
H -4.998422 -1.465905 1.195802
H -6.360321 0.551922 0.098566
H -5.606820 0.108537 -1.475747
H -4.779090 0.921254 2.093427
H -3.012557 0.749341 1.798552
H 2.727857 3.324232 -1.324789
H 4.289860 -0.483458 0.024068
H -6.284562 2.570434 -1.344712
H -4.513170 2.331719 -1.636033
H -3.773223 3.180501 1.853346
H -3.001997 2.704783 0.286013
H 4.556260 4.522084 -0.100996
H 6.133205 0.707291 1.261214
H 6.268693 3.217652 1.197642


