%chk=000094038.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094038

0 1
 O  -0.2644000       2.449700       1.196400    
 C   0.7921000      0.7771000     -0.1696000    
 C    1.171300     -0.6764000      0.2498000    
 C    2.638400     -0.2566000     -3.4200002E-02
 C  -0.5381000       1.340000      0.3377000    
 C    2.189300       1.166300      0.4049000    
 C   -1.949700     -0.8611000      0.3263000    
 C   -1.366500      0.3241000       1.141600    
 C   0.4344000      -1.704400     -0.5792000    
 C  -0.9260000      -2.011600      5.5000000E-02
 C   -1.380500       1.847200     -0.8460000    
 C   -2.631200     -0.3513000     -0.9690000    
 C   -1.866000      0.7135000      -1.745900    
 C    3.119400     -0.3663000      -1.466500    
 C    3.644600     -0.8821000      0.9057000    
 C   -3.067000      -1.508100       1.193100    
 H   0.8182000      0.9279000      -1.258600    
 H    1.049800     -0.8921000       1.322500    
 H    2.684300       2.005600     -9.2100002E-02
 H    2.200000       1.344900       1.487300    
 H   -2.203300      0.8806000       1.591600    
 H  -0.8057000     -4.0399998E-02   2.011500    
 H    1.015300      -2.634700     -0.6001000    
 H   0.3173000      -1.394500      -1.621800    
 H   -1.413100      -2.778300     -0.5630000    
 H  -0.7165000      -2.505600       1.015300    
 H  -0.8094000       2.571500      -1.441100    
 H   -2.246000       2.405800     -0.4646000    
 H   -3.603500      8.9800000E-02 -0.7076000    
 H   -2.859000      -1.192300      -1.635800    
 H   -1.028900      0.2572000      -2.281400    
 H   -2.520900       1.129700      -2.521100    
 H    4.083200      0.1408000      -1.592000    
 H    3.263300      -1.415400      -1.749700    
 H    2.437800      6.8800002E-02  -2.202300    
 H    3.336900     -0.7968000       1.954000    
 H    3.775400      -1.948500      0.6907000    
 H    4.624200     -0.3992000      0.8160000    
 H   -3.531400      -2.353600      0.6726000    
 H   -2.667400      -1.876600       2.145000    
 H   -3.860300     -0.7892000       1.428700    
 H   0.1806000       3.134300      0.6680000    


%chk=000094038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094038

0 1
O -0.316740 2.431726 1.354453
C 0.771918 0.782658 -0.198488
C 1.181322 -0.674747 0.146283
C 2.697979 -0.248514 -0.036918
C -0.562428 1.352864 0.357162
C 2.208316 1.236244 0.242451
C -1.981486 -0.878671 0.316969
C -1.397592 0.315043 1.143234
C 0.434241 -1.771335 -0.616415
C -0.955161 -2.041805 0.031535
C -1.425645 1.902115 -0.808959
C -2.674502 -0.324486 -0.972609
C -1.886929 0.758689 -1.746768
C 3.233613 -0.431172 -1.473171
C 3.684941 -0.838737 0.983484
C -3.092372 -1.533975 1.192718
H 0.740609 0.861016 -1.302704
H 1.040999 -0.843476 1.234258
H 2.695860 2.039317 -0.339063
H 2.254212 1.475118 1.319814
H -2.247030 0.878604 1.579031
H -0.808721 -0.064792 1.999429
H 0.999182 -2.726701 -0.598033
H 0.332607 -1.491434 -1.684167
H -1.488206 -2.802101 -0.577151
H -0.754464 -2.522994 1.012737
H -0.849602 2.657830 -1.383153
H -2.308411 2.415271 -0.378956
H -3.643192 0.123053 -0.665403
H -2.921394 -1.168825 -1.647431
H -1.012394 0.306648 -2.252862
H -2.526852 1.172703 -2.550292
H 4.224911 0.049448 -1.579738
H 3.352542 -1.504471 -1.715568
H 2.562863 0.012896 -2.231331
H 3.315484 -0.707883 2.017723
H 3.837132 -1.922254 0.811091
H 4.674750 -0.346984 0.913258
H -3.552028 -2.397452 0.674091
H -2.679877 -1.897100 2.153280
H -3.895108 -0.808862 1.422382
H 0.257656 3.117227 0.925899


