%chk=000085170.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085170

0 1
 O   -1.642800      -2.200900      -1.085300    
 O   -3.505400     -0.3961000      -1.757800    
 O   -1.728100      -2.411600       1.614700    
 O   -4.690000       1.304700     -1.0700000E-02
 O   0.9146000      -2.448000       1.515600    
 O   -2.690700       3.245100      0.3373000    
 O    2.092400       2.118400       1.374100    
 O    4.244300       1.424700       1.352300    
 N    1.090700     -0.2620000      0.7615000    
 C   -1.670700     -0.9862000     -0.3242000    
 C   -3.113600     -0.4557000     -0.3784000    
 C   -1.119900      -1.240900       1.085800    
 C    3.146800     -0.6906000     -0.5484000    
 C    2.532800     -0.1818000      0.7646000    
 C    2.552000     -0.1598000      -1.872600    
 C   -3.328000      0.9342000      0.2387000    
 C   0.3969000      -1.397100       1.140200    
 C   -2.422800       2.020100     -0.3395000    
 C    2.702300       1.365600      -1.917800    
 C    3.184500     -0.7692000      -3.121600    
 C    3.054700       1.187100       1.171500    
 H   -1.025500     -0.2966000     -0.8778000    
 H   -3.794800      -1.179200      8.6000003E-02
 H   -1.368700     -0.4030000       1.746600    
 H    3.032900      -1.783600     -0.5647000    
 H    4.229200     -0.5057000     -0.5422000    
 H    2.877700     -0.8471000       1.568100    
 H    1.482100     -0.3999000      -1.904200    
 H   -3.209000      0.8901000       1.326700    
 H   0.5716000      0.5639000      0.4796000    
 H   -2.623800       2.179500      -1.403700    
 H   -1.364800       1.789700     -0.1958000    
 H    3.731200       1.678400      -1.711300    
 H    2.433500       1.748700      -2.909000    
 H    2.029500       1.856800      -1.211300    
 H    4.253900     -0.5391000      -3.175700    
 H    3.073600      -1.858500      -3.115500    
 H    2.707100     -0.3889000      -4.030800    
 H  -0.7237000      -2.518200      -1.096600    
 H   -4.423700     -7.6899998E-02  -1.785500    
 H   -1.471400      -2.477000       2.550400    
 H   -4.828200       2.183200      0.3830000    
 H   -2.106400       3.918500     -5.0999999E-02
 H    2.468600       2.979200       1.656600    


%chk=000085170-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085170

0 1
O -0.745992 -0.807746 -1.361784
O -3.191245 0.181478 -1.901748
O -1.667234 -1.806130 1.451446
O -5.218281 0.384042 -0.151400
O 0.945747 -2.080195 1.383531
O -4.758330 2.645561 1.162322
O 2.754459 2.358942 0.855485
O 4.855865 1.367815 0.897218
N 1.412304 0.121314 0.797167
C -1.440398 -0.068201 -0.305420
C -2.955943 -0.241373 -0.506231
C -0.964809 -0.597577 1.069380
C 3.348566 -0.947841 -0.459565
C 2.870309 -0.081125 0.754361
C 2.817110 -0.538531 -1.856723
C -3.875844 0.555311 0.437016
C 0.558414 -0.904866 1.080796
C -3.563843 2.059232 0.519233
C 3.316365 0.851884 -2.318945
C 3.230385 -1.624135 -2.880849
C 3.617562 1.243903 0.839525
H -1.184388 1.014249 -0.390443
H -3.200223 -1.313795 -0.387678
H -1.172373 0.182070 1.833518
H 3.017297 -1.979635 -0.243635
H 4.456385 -0.942081 -0.450536
H 3.159248 -0.651586 1.660932
H 1.709670 -0.523762 -1.808720
H -3.848614 0.106571 1.448921
H 1.056043 1.047336 0.552433
H -3.417481 2.472470 -0.499178
H -2.660788 2.241875 1.136505
H 4.422402 0.899799 -2.312081
H 2.975448 1.057634 -3.350664
H 2.934260 1.670792 -1.681753
H 4.332772 -1.700172 -2.957289
H 2.838540 -2.616625 -2.591509
H 2.838271 -1.385414 -3.886817
H -1.300681 -0.706310 -2.182767
H -4.179691 0.181622 -2.017369
H -0.963574 -2.519677 1.516846
H -5.794188 1.083164 0.260826
H -4.707718 3.631987 1.156470
H 3.295118 3.192028 0.911071


