%chk=000018246.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018246

0 1
 O  -0.9564000     -0.2795000     -0.1553000    
 O    1.164300     -0.2858000      -1.785700    
 O   0.2948000      -1.936900      0.8328000    
 N   -4.630900     -0.6510000      0.2184000    
 C   -3.334400     -5.2299999E-02 -0.1277000    
 C   -3.407500      4.8500001E-02  -1.652700    
 C   -4.895200      0.1077000      -1.981200    
 C   -5.603000      3.2499999E-02 -0.6385000    
 C   -2.142500     -0.8852000      0.3272000    
 C   -4.972500     -0.5134000       1.629000    
 C   -6.354100      -1.076200       1.916700    
 C    1.426200     -0.1343000     -0.3756000    
 C   0.2237000     -0.9098000      0.1684000    
 C    2.779600     -0.7539000     -1.8999999E-02
 C    1.389900       1.349400     -2.3000001E-03
 C    2.941900      -1.306500       1.230500    
 C    1.794200       2.274000     -0.9376000    
 C    3.781500     -0.7348000     -0.9617000    
 C   0.9541000       1.702100       1.254300    
 C    1.139100      -1.652400      -2.146400    
 C    4.175000      -1.871400       1.555600    
 C    1.760900       3.626300     -0.5976000    
 C    5.014700      -1.299900     -0.6364000    
 C   0.9208000       3.054500       1.594200    
 C    5.211400      -1.868200      0.6221000    
 C    1.324300       4.016500      0.6683000    
 H   -3.247900      0.9675000      0.2745000    
 H   -2.886500      0.9410000      -2.016400    
 H   -2.959500     -0.8218000      -2.147900    
 H   -5.155200       1.022900      -2.522500    
 H   -5.168300     -0.7455000      -2.613300    
 H   -6.544400     -0.5169000     -0.7381000    
 H   -5.821200       1.047000     -0.2803000    
 H   -2.215000      -1.908900     -6.1299998E-02
 H   -2.101700     -0.9274000       1.421600    
 H   -4.931900      0.5330000       1.956800    
 H   -4.252100      -1.071400       2.237500    
 H   -6.521100      -1.107600       2.999100    
 H   -6.457900      -2.099000       1.538300    
 H   -7.151900     -0.4612000       1.488700    
 H    2.183900      -1.271900       2.004800    
 H    2.146200       1.992000      -1.924600    
 H    3.660200     -0.2810000      -1.940000    
 H   0.6476000      0.9694000       1.993800    
 H    1.495800      -1.721700      -3.179700    
 H   0.1030000      -2.009600      -2.162000    
 H    1.740600      -2.345900      -1.552000    
 H    4.333500      -2.300500       2.540600    
 H    2.077300       4.375500      -1.317500    
 H    5.823700      -1.292600      -1.361200    
 H   0.5836000       3.358400       2.580900    
 H    6.173000      -2.303900      0.8769000    
 H    1.299600       5.069400      0.9335000    


%chk=000018246-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018246

0 1
O -0.944882 -0.288756 -0.194920
O 1.617398 -0.656946 -2.112596
O -0.004729 -2.407861 -0.203469
N -4.630935 -0.351192 0.475899
C -3.290268 0.252119 0.182824
C -3.497314 1.137665 -1.077764
C -4.828752 0.622640 -1.684236
C -5.644280 0.254119 -0.427888
C -2.303082 -0.903192 -0.034215
C -4.995094 -0.429183 1.905145
C -6.196061 -1.358867 2.160256
C 1.450856 -0.427917 -0.641615
C 0.122683 -1.159906 -0.289639
C 2.672463 -0.959218 0.129320
C 1.323837 1.098323 -0.480139
C 2.605592 -1.905186 1.179647
C 1.052093 1.930464 -1.590985
C 3.940186 -0.439575 -0.247476
C 1.450979 1.678923 0.805646
C 1.955110 -2.029311 -2.531336
C 3.784530 -2.316432 1.846361
C 0.913726 3.326153 -1.417225
C 5.114861 -0.857916 0.408413
C 1.303742 3.071612 0.980182
C 5.041013 -1.798854 1.464065
C 1.034104 3.902740 -0.132277
H -2.920402 0.869206 1.030584
H -3.604649 2.195880 -0.777480
H -2.639435 1.075717 -1.768338
H -5.335187 1.375753 -2.311725
H -4.657724 -0.279959 -2.299110
H -6.460184 -0.458868 -0.642816
H -6.102351 1.173629 0.018927
H -2.542108 -1.479364 -0.945792
H -2.284945 -1.596908 0.825163
H -5.218838 0.587459 2.323468
H -4.118171 -0.814934 2.459740
H -6.400617 -1.436683 3.243846
H -5.987548 -2.369077 1.765849
H -7.112285 -0.980942 1.671945
H 1.645272 -2.340135 1.468440
H 0.960776 1.478195 -2.581376
H 3.991144 0.294364 -1.059661
H 1.674240 1.043498 1.670549
H 2.055097 -1.963197 -3.626427
H 1.157559 -2.744861 -2.261161
H 2.910821 -2.360880 -2.084953
H 3.717525 -3.048240 2.659287
H 0.709962 3.962856 -2.286006
H 6.084621 -0.448623 0.103713
H 1.405236 3.508149 1.980374
H 5.952047 -2.122460 1.980044
H 0.925666 4.985285 0.000937


