%chk=000008956.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008956

0 1
 O    5.990500      0.1567000     -0.8202000    
 O   -6.054800      0.2449000      -1.139700    
 C    2.300800      0.2295000      0.1930000    
 C    1.440200     -0.9665000     -0.2673000    
 C   3.1700000E-02 -0.9554000      0.3359000    
 C  -0.6895000      0.3606000     -9.3699999E-02
 C    3.622500     -0.1233000     -0.5322000    
 C    1.618700       1.513000     -0.3001000    
 C   -2.169200      0.4515000      0.4456000    
 C    2.341800      -2.172900     -2.3100000E-02
 C   0.1702000       1.618600      0.2103000    
 C    3.759200      -1.649200     -0.3203000    
 C  -0.7822000      -2.173400     -0.1192000    
 C    2.509500      0.3059000       1.726400    
 C   -2.911000     -0.8534000      0.1282000    
 C   -2.191600      -2.140100      0.4577000    
 C    4.862600      0.6476000     -0.1027000    
 C   -2.873400       1.648300     -0.2580000    
 C   -2.214900      0.6726000       1.974600    
 C   -4.387800       1.629600     -0.1229000    
 C   -4.147700     -0.9063000     -0.3942000    
 C    4.717400       2.139800     -0.3568000    
 C   -4.942700      0.3221000     -0.6214000    
 H    1.313000     -0.9014000      -1.361200    
 H   0.1066000     -0.9982000       1.427700    
 H  -0.7629000      0.3159000      -1.192800    
 H    3.487700      2.5800001E-02  -1.614800    
 H    1.606900       1.538200      -1.397200    
 H    2.138900       2.414200      2.8000001E-02
 H    2.085700      -3.014400     -0.6749000    
 H    2.272900      -2.522900       1.013000    
 H   0.1859000       1.815700       1.286800    
 H  -0.2814000       2.500600     -0.2572000    
 H    4.425800      -1.892500      0.5150000    
 H    4.172100      -2.125500      -1.216500    
 H  -0.2918000      -3.098500      0.2051000    
 H  -0.8320000      -2.207200      -1.215300    
 H    3.057200     -0.5574000       2.117300    
 H    3.075800       1.201200       2.004000    
 H    1.567200      0.3555000       2.278500    
 H   -2.144200      -2.251500       1.548100    
 H   -2.743300      -3.011900      8.4600002E-02
 H    5.089100      0.4831000      0.9555000    
 H   -2.629000       1.637400      -1.329500    
 H   -2.502100       2.602300      0.1350000    
 H   -1.616300     -6.4499997E-02   2.518800    
 H   -1.843100       1.665100       2.250000    
 H   -3.237800      0.5976000       2.361600    
 H   -4.811700       2.439800     -0.7265000    
 H   -4.706400       1.775200      0.9140000    
 H   -4.635600      -1.849300     -0.6174000    
 H    4.137300       2.635400      0.4233000    
 H    5.705300       2.615600     -0.3634000    
 H    4.273800       2.345400      -1.336700    
 H    5.837500      0.3214000      -1.766400    


%chk=000008956-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008956

0 1
O 6.101121 0.053660 -0.845841
O -6.189437 0.250258 -1.185167
C 2.304052 0.279444 0.186056
C 1.434839 -0.954615 -0.230338
C 0.011628 -0.959772 0.369155
C -0.726561 0.343540 -0.073233
C 3.647386 -0.079919 -0.549449
C 1.562398 1.544759 -0.316322
C -2.217208 0.441107 0.459108
C 2.360224 -2.168906 0.017556
C 0.112394 1.615942 0.234312
C 3.782691 -1.634943 -0.354673
C -0.786135 -2.201871 -0.085744
C 2.536780 0.352836 1.720158
C -2.951465 -0.866528 0.109486
C -2.241648 -2.165785 0.440418
C 4.940530 0.659253 -0.137027
C -2.916573 1.646785 -0.244245
C -2.267841 0.627908 2.009668
C -4.455286 1.630765 -0.138788
C -4.209882 -0.886847 -0.438801
C 4.932811 2.180755 -0.370467
C -5.039381 0.315512 -0.650528
H 1.305731 -0.870810 -1.335736
H 0.086835 -0.986795 1.477328
H -0.811453 0.275148 -1.183557
H 3.483471 0.127816 -1.632631
H 1.530563 1.525642 -1.426532
H 2.096415 2.469947 -0.028078
H 2.073912 -3.045955 -0.589639
H 2.315971 -2.482284 1.078705
H 0.150021 1.787475 1.326982
H -0.382231 2.503232 -0.202581
H 4.521800 -1.854706 0.436932
H 4.169454 -2.112668 -1.270926
H -0.291042 -3.125328 0.268882
H -0.794662 -2.243378 -1.194614
H 3.103982 -0.519214 2.091191
H 3.109395 1.261115 1.985207
H 1.588752 0.392510 2.283001
H -2.211064 -2.282256 1.545176
H -2.820516 -3.022703 0.050142
H 5.173372 0.443233 0.921102
H -2.637748 1.634120 -1.317787
H -2.532472 2.594461 0.176147
H -1.722474 -0.171762 2.540750
H -1.823035 1.594927 2.304014
H -3.311429 0.613264 2.370968
H -4.909178 2.463703 -0.704241
H -4.775422 1.754322 0.916146
H -4.683816 -1.841395 -0.702994
H 4.237735 2.696259 0.315701
H 5.946234 2.584338 -0.201096
H 4.626879 2.424264 -1.406641
H 5.961980 0.180543 -1.820214


