%chk=000044448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044448

0 1
 O   0.1911000       1.436800     -0.8130000    
 O   -2.926000       2.346000      0.8306000    
 N   -2.530400     -0.4661000      0.4438000    
 N   -2.885800      -2.630700       1.184900    
 N   -3.368700      -2.193700     -0.9993000    
 C   -2.096600       1.860300     -0.2254000    
 C  -0.6506000       1.849000      0.2595000    
 C   -2.589400      0.4853000     -0.6706000    
 C    1.328700      0.7538000     -0.4747000    
 C    3.639200     -0.6334000      0.2139000    
 C    1.948300       1.008500      0.7442000    
 C    1.854000     -0.1886000      -1.352400    
 C    3.107000      0.3130000       1.089300    
 C    3.012700     -0.8843000      -1.007100    
 C    4.877600      -1.377300      0.5830000    
 C   -2.911100      -1.678600      0.1932000    
 H   -2.186500       2.553400      -1.070300    
 H  -0.3617000       2.858300      0.5780000    
 H  -0.5806000       1.190900       1.135800    
 H   -3.630200      0.5814000      -1.004800    
 H   -1.984200      0.1319000      -1.513800    
 H    1.585900       1.759300       1.439700    
 H    1.368800     -0.3870000      -2.303900    
 H    3.591200      0.5231000       2.039300    
 H    3.418500      -1.618100      -1.698300    
 H   -3.839000       2.373300      0.4969000    
 H    4.884200      -2.378800      0.1397000    
 H    5.760800     -0.8333000      0.2335000    
 H    4.952100      -1.507300       1.668000    
 H   -2.571000      -2.402600       2.121700    
 H   -3.178300      -3.586000       1.010800    
 H   -3.640400      -3.167900      -1.077400    
 H   -3.453500      -1.628300      -1.836300    


%chk=000044448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044448

0 1
O 0.245992 0.810019 -0.722435
O -2.839160 2.211207 0.772392
N -3.322779 -0.319120 0.379158
N -4.644224 -2.003043 1.342770
N -3.958831 -2.275145 -0.887711
C -2.000367 1.603111 -0.257934
C -0.637348 1.266045 0.369403
C -2.715353 0.333616 -0.800049
C 1.559492 0.441359 -0.390487
C 4.264125 -0.358474 0.065874
C 2.093539 0.465443 0.920343
C 2.372642 0.021189 -1.473549
C 3.434856 0.065284 1.130796
C 3.703146 -0.371799 -1.241453
C 5.705924 -0.778478 0.299381
C -3.929962 -1.477788 0.260924
H -1.859689 2.343814 -1.063989
H -0.219564 2.171616 0.849430
H -0.757150 0.464653 1.126907
H -3.492017 0.638366 -1.534420
H -1.960849 -0.291964 -1.325080
H 1.486679 0.788155 1.771329
H 1.943205 0.014189 -2.480564
H 3.839322 0.087631 2.150266
H 4.320856 -0.693690 -2.089387
H -3.300768 1.405757 1.173420
H 5.897483 -1.800701 -0.078501
H 6.413310 -0.103290 -0.219346
H 5.960382 -0.765258 1.373465
H -4.680489 -1.416874 2.174102
H -4.718430 -3.010860 1.466017
H -4.668454 -2.993124 -1.009828
H -3.399418 -2.009547 -1.692742


