%chk=000117669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117669

0 1
 O    3.908000       1.836900      0.8988000    
 O   -4.662000      -1.907300      0.7554000    
 O   -6.290200     -0.4769000     -0.2985000    
 N    4.815200     -0.1116000      4.3000001E-02
 C    7.025300     -0.9053000     -0.1359000    
 C    6.128700      -1.763000      -1.018300    
 C    6.195500      0.3531000      6.3699998E-02
 C    4.736200      -1.477500     -0.4727000    
 C    3.775800      0.6904000      0.4717000    
 C    2.421000      0.1073000      0.4079000    
 C    1.392900      0.9295000      0.2101000    
 C   -4.112800     -0.7505000      0.2947000    
 C   -2.424000      0.8380000     -0.1450000    
 C   -5.042600      6.6299997E-02 -0.3071000    
 C   -2.784600     -0.3898000      0.3925000    
 C   -3.356500       1.677800     -0.7589000    
 C   -4.695400       1.288700     -0.8444000    
 C   2.8700000E-02  0.4518000      0.1327000    
 C   -1.017300       1.269300     -6.6200003E-02
 C   -6.041900      -1.726900      0.3766000    
 H    7.187000      -1.406300      0.8261000    
 H    8.000500     -0.7008000     -0.5859000    
 H    6.200200      -1.423900      -2.058900    
 H    6.384200      -2.825500     -0.9857000    
 H    6.420400      0.8717000       1.000300    
 H    6.322500       1.054500     -0.7685000    
 H    3.958300      -1.563100      -1.236900    
 H    4.492700      -2.138800      0.3659000    
 H    2.295500     -0.9641000      0.5111000    
 H    1.542200       2.000200      9.5799997E-02
 H   -2.094700      -1.058200      0.8937000    
 H   -5.430900       1.928700      -1.318300    
 H   -3.059900       2.636600      -1.177100    
 H  -0.8483000       2.337900     -0.1853000    
 H  -0.1002000     -0.6221000      0.2302000    
 H   -6.661900      -1.767400       1.279600    
 H   -6.333700      -2.548500     -0.2877000    


%chk=000117669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117669

0 1
O 4.019871 2.022681 -0.228707
O -4.890648 -2.096940 0.102407
O -6.543681 -0.352686 0.077461
N 4.942500 -0.104538 -0.202552
C 7.194827 -0.780729 0.164976
C 6.410690 -1.966607 -0.455053
C 6.322807 0.445277 -0.187584
C 4.928444 -1.591275 -0.204010
C 3.850169 0.752468 -0.200766
C 2.499959 0.128657 -0.153231
C 1.370792 0.910756 -0.159433
C -4.266708 -0.825257 0.039966
C -2.499671 0.820020 -0.062560
C -5.243258 0.198095 0.025583
C -2.903760 -0.557240 -0.002367
C -3.499263 1.838247 -0.075976
C -4.886206 1.547104 -0.032418
C 0.015503 0.403931 -0.107671
C -1.091840 1.223556 -0.111574
C -6.351975 -1.829075 0.128128
H 7.258379 -0.898318 1.262582
H 8.220601 -0.692359 -0.230349
H 6.605565 -2.020145 -1.541964
H 6.673096 -2.941668 -0.010925
H 6.390131 1.271198 0.540497
H 6.577414 0.864530 -1.181336
H 4.264557 -1.989739 -0.992650
H 4.579207 -1.984054 0.772976
H 2.409796 -0.963795 -0.103238
H 1.524362 1.999100 -0.205623
H -2.175418 -1.371320 0.009898
H -5.640629 2.337230 -0.043442
H -3.181143 2.885759 -0.122082
H -0.913707 2.308281 -0.156409
H -0.106148 -0.688154 -0.063413
H -6.772812 -2.211342 1.073892
H -6.817904 -2.280451 -0.764533


