%chk=000028329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028329

0 1
 O  -4.6399999E-02   1.935200      0.3035000    
 O   -4.557400       1.093000     -0.6747000    
 N   0.1956000      -1.021600      0.6859000    
 N    3.741100     -7.7699997E-02  9.1000004E-03
 N   -3.191900     -0.7168000     -0.1517000    
 N   -2.309200       1.538400     -0.1900000    
 N   -1.518700      -2.424300      0.4329000    
 C    1.542000     -0.5783000      0.9576000    
 C    2.399900     -0.5544000     -0.3042000    
 C  -0.8800000     -0.2527000      0.3454000    
 C   -1.915000      -1.135200      0.1970000    
 C    3.690900       1.276700      0.5634000    
 C    4.590700     -0.1065000      -1.183000    
 C  -0.2387000      -2.321400      0.7259000    
 C  -0.9875000       1.158800      0.1652000    
 C   -3.441200      0.6625000     -0.3629000    
 C    5.076400       1.760600      0.9565000    
 C    4.657600      -1.503700      -1.775800    
 C   -4.262400      -1.695100     -0.2983000    
 C   -2.545900       2.962600     -0.4018000    
 H    1.433400      0.3829000       1.460800    
 H    1.968700      -1.270100       1.695500    
 H    2.415000      -1.581800     -0.6836000    
 H    1.925500      6.6100001E-02  -1.076600    
 H    3.229000       1.989400     -0.1313000    
 H    3.125400       1.310000       1.497100    
 H    4.247900      0.6016000      -1.948000    
 H    5.622400      0.1556000     -0.9270000    
 H   0.4181000      -3.145000      0.9713000    
 H    5.615100       1.013600       1.549700    
 H    5.685900       2.034300      8.9699998E-02
 H    4.989400       2.663700       1.571700    
 H    4.854900      -2.262800      -1.011000    
 H    3.747600      -1.772000      -2.321400    
 H    5.478000      -1.553600      -2.501000    
 H   -5.206500      -1.218900     -0.5743000    
 H   -4.396700      -2.220400      0.6523000    
 H   -3.986200      -2.410200      -1.079300    
 H   -1.648700       3.568200     -0.2566000    
 H   -3.322300       3.294500      0.2949000    
 H   -2.917800       3.106700      -1.421200    


%chk=000028329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028329

0 1
O 0.020779 1.890240 0.522190
O -4.571318 1.277409 -0.360442
N 0.200231 -1.234364 0.506155
N 3.657436 0.106721 -0.291882
N -3.255597 -0.654569 -0.148187
N -2.283209 1.547603 0.076108
N -1.656110 -2.524953 0.130948
C 1.613665 -0.852483 0.717733
C 2.317269 -0.434561 -0.599590
C -0.875585 -0.353927 0.300533
C -1.992808 -1.179326 0.080522
C 3.631740 1.567061 0.015569
C 4.707817 -0.277084 -1.270536
C -0.318904 -2.511653 0.387607
C -0.944295 1.084438 0.321904
C -3.442229 0.747223 -0.157538
C 4.745468 1.989776 0.991584
C 5.133106 -1.752929 -1.149741
C -4.407084 -1.549000 -0.378742
C -2.516510 3.010536 0.063446
H 1.639948 -0.008066 1.424795
H 2.144278 -1.707129 1.170237
H 2.411229 -1.319309 -1.255310
H 1.674271 0.304362 -1.130339
H 3.701153 2.170636 -0.923263
H 2.647470 1.806111 0.458389
H 4.389509 -0.059187 -2.321430
H 5.589893 0.359166 -1.074674
H 0.293030 -3.403615 0.499494
H 4.648854 1.438366 1.943254
H 5.753089 1.788035 0.583866
H 4.680282 3.073538 1.202559
H 5.515546 -1.956497 -0.134337
H 4.290102 -2.442204 -1.342117
H 5.927544 -1.987901 -1.882433
H -5.292931 -0.916765 -0.535155
H -4.555176 -2.206264 0.494253
H -4.224470 -2.178099 -1.265850
H -1.546532 3.498383 0.237140
H -3.234904 3.285918 0.852783
H -2.938051 3.316262 -0.907805


