%chk=000050041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050041

0 1
 O    2.482400     -0.4989000      0.1241000    
 O   -5.216200     -9.4999999E-02 -0.3435000    
 O    1.120300       1.334500      9.7000003E-03
 N    6.068400      0.3339000      0.3041000    
 N   0.2680000     -0.8458000     -1.8000000E-03
 C    4.870200     -0.5036000      0.2659000    
 C    3.618200      0.3543000      0.1759000    
 C    7.268600     -0.4951000      0.4081000    
 C    6.135800       1.184000     -0.8840000    
 C   -1.129900     -0.6550000     -8.8600002E-02
 C   -3.870300     -0.2790000     -0.2601000    
 C   -1.966300      -1.759400     -0.1190000    
 C   -1.636600      0.6338000     -0.1423000    
 C    1.257100      0.1176000      4.0100001E-02
 C   -3.345600      -1.570200     -0.2051000    
 C   -3.015900      0.8231000     -0.2286000    
 C   -5.746600       1.094400      0.2396000    
 C   -7.161700      0.8265000      0.7055000    
 H    4.894200      -1.210400     -0.5747000    
 H    4.807200      -1.115900       1.174800    
 H    3.541800       1.012000       1.050300    
 H    3.600900      0.9593000     -0.7356000    
 H    7.392600      -1.154900     -0.4585000    
 H    8.163700      0.1307000      0.4963000    
 H    7.231500      -1.114900       1.311000    
 H    7.110400       1.685100     -0.9388000    
 H    6.003200      0.6191000      -1.814100    
 H    5.406700       1.999200     -0.8455000    
 H   -1.568000      -2.769300     -7.6899998E-02
 H   -1.039000       1.533600     -0.1295000    
 H   0.5816000      -1.812800      3.4200002E-02
 H   -4.006400      -2.432400     -0.2289000    
 H   -3.382700       1.843100     -0.2972000    
 H   -5.748200       1.893000     -0.5103000    
 H   -5.167200       1.413300       1.115200    
 H   -7.604200       1.722700       1.149500    
 H   -7.788200      0.5016000     -0.1318000    
 H   -7.178000      2.0099999E-02   1.446200    


%chk=000050041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050041

0 1
O 2.542410 -0.491830 0.238431
O -5.336731 -0.261530 0.128511
O 1.175330 1.431039 0.303350
N 6.203594 0.263062 0.035541
N 0.302934 -0.773152 0.199541
C 4.938638 -0.502822 -0.046463
C 3.741733 0.381160 0.327792
C 7.381035 -0.601700 0.252890
C 6.402662 1.186334 -1.101376
C -1.105821 -0.560115 0.184763
C -3.931598 -0.284986 0.151111
C -1.943813 -1.706836 0.113174
C -1.696053 0.726167 0.239364
C 1.301396 0.181300 0.252730
C -3.341160 -1.572408 0.096494
C -3.101902 0.860634 0.222431
C -5.998173 1.056179 0.188254
C -7.502164 0.798419 0.151885
H 4.766868 -0.946533 -1.059001
H 4.989591 -1.341231 0.671713
H 3.841697 0.761428 1.359249
H 3.607661 1.239550 -0.352992
H 7.589806 -1.296374 -0.600287
H 8.277090 0.027071 0.403243
H 7.236173 -1.209767 1.163252
H 7.317376 1.782241 -0.934734
H 6.507194 0.655666 -2.082225
H 5.556783 1.889808 -1.182477
H -1.499783 -2.709400 0.069989
H -1.055791 1.609089 0.294594
H 0.632300 -1.740055 0.164472
H -3.993182 -2.449170 0.041500
H -3.530022 1.866253 0.266073
H -5.674350 1.672037 -0.676425
H -5.701310 1.576674 1.122440
H -8.052884 1.755520 0.198916
H -7.785405 0.276353 -0.777929
H -7.810331 0.174225 1.007906


