%chk=000059960.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059960

0 1
 O    1.525300      0.4556000     -0.4301000    
 O    1.059700       2.537700      0.3932000    
 O   -3.159100      2.0600000E-02 -0.9564000    
 N    5.601700     -0.4080000      0.3233000    
 N  -0.6271000       1.084500     -0.3302000    
 C    2.913000      0.6927000     -0.2305000    
 C    3.322600      0.2414000       1.169300    
 C    3.704100     -6.4700000E-02  -1.292800    
 C    4.839500      0.3113000       1.353100    
 C    5.208400      1.6200000E-02  -1.027100    
 C    5.525200      -1.857400      0.4912000    
 C    6.441000      -2.572500     -0.4878000    
 C   0.6735000       1.473100     -7.3700003E-02
 C   -3.359600      -2.323300     -0.4886000    
 C   -4.115000      -3.397100      0.2913000    
 C   -1.814100       1.820900     -0.1144000    
 C   -3.914200     -0.9331000     -0.2125000    
 C   -3.525000      -4.784600      4.1200001E-02
 C   -3.057800       1.274700     -0.4319000    
 C   -1.733200       3.106200      0.4215000    
 C   -4.253000      -5.852300      0.8425000    
 C   -4.220400       2.013800     -0.2132000    
 C   -2.896000       3.845300      0.6401000    
 C   -4.139500       3.299100      0.3226000    
 H    3.146300       1.759200     -0.3523000    
 H    2.831200      0.8704000       1.921300    
 H    2.956700     -0.7760000       1.356600    
 H    3.374500      -1.110400      -1.335000    
 H    3.477700      0.3525000      -2.281900    
 H    5.109100     -5.4200001E-02   2.351600    
 H    5.149400       1.364500       1.336000    
 H    5.516600       1.064800      -1.142500    
 H    5.760200     -0.5066000      -1.814100    
 H    5.861600      -2.115500       1.503100    
 H    4.506000      -2.245700      0.3872000    
 H    6.555400      -3.619000     -0.1833000    
 H    7.442000      -2.128000     -0.5072000    
 H    6.037700      -2.585800      -1.504700    
 H  -0.7525000      0.1543000     -0.7221000    
 H   -2.293700      -2.344300     -0.2283000    
 H   -3.409200      -2.529000      -1.565200    
 H   -4.072200      -3.169700       1.363600    
 H   -5.172700      -3.388000      1.3000000E-03
 H   -4.962900     -0.8756000     -0.5257000    
 H   -3.855900     -0.7206000      0.8630000    
 H   -3.587100      -5.028700      -1.025600    
 H   -2.463500      -4.793300      0.3149000    
 H  -0.8104000       3.598700      0.6930000    
 H   -5.312900      -5.891400      0.5714000    
 H   -4.179900      -5.654900       1.916800    
 H   -3.815900      -6.836500      0.6475000    
 H   -5.196000       1.605900     -0.4634000    
 H   -2.834400       4.846400       1.056900    
 H   -5.044600       3.875400      0.4909000    


%chk=000059960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059960

0 1
O 1.638763 0.434805 -0.390392
O 1.201864 2.733914 -0.064288
O -2.730260 -0.287512 0.108458
N 5.899784 -0.156651 -0.018666
N -0.495590 1.080227 -0.040255
C 3.105213 0.730291 -0.479413
C 3.725763 0.782756 0.926760
C 3.727407 -0.380310 -1.334000
C 5.275817 0.913063 0.799038
C 5.278820 -0.201972 -1.365237
C 6.016722 -1.467770 0.670898
C 7.067947 -2.386950 0.019106
C 0.801922 1.543083 -0.150267
C -3.482260 -2.586388 -0.001943
C -4.664678 -3.578961 0.091564
C -1.665368 1.843118 0.192258
C -3.932273 -1.137089 0.191651
C -4.223307 -5.048016 -0.101296
C -2.886647 1.104190 0.274231
C -1.695229 3.248503 0.344270
C -5.397238 -6.044718 0.005071
C -4.111134 1.761581 0.502667
C -2.927464 3.903980 0.574224
C -4.129273 3.169782 0.653361
H 3.215776 1.717743 -0.970051
H 3.316087 1.640878 1.490015
H 3.466504 -0.144374 1.473349
H 3.464331 -1.364503 -0.901651
H 3.318354 -0.348317 -2.360915
H 5.739679 0.914350 1.801980
H 5.516100 1.887749 0.326835
H 5.521651 0.748514 -1.882360
H 5.739330 -1.013002 -1.954756
H 6.328899 -1.254639 1.711299
H 5.044646 -2.017309 0.741267
H 7.190865 -3.311139 0.613952
H 8.040602 -1.868253 -0.038504
H 6.778448 -2.688374 -1.004074
H -0.636834 0.070017 -0.134656
H -2.724267 -2.832038 0.766749
H -2.986737 -2.682142 -0.987252
H -5.162157 -3.475665 1.078515
H -5.428804 -3.325529 -0.672775
H -4.651303 -0.832274 -0.596928
H -4.411189 -0.997132 1.183125
H -3.732628 -5.153612 -1.090060
H -3.453469 -5.298247 0.656647
H -0.758193 3.805558 0.281120
H -6.167759 -5.835170 -0.760792
H -5.883752 -5.979984 0.996592
H -5.056196 -7.086544 -0.136088
H -5.045141 1.195672 0.563981
H -2.940282 4.992735 0.690561
H -5.081262 3.681073 0.830978


