%chk=000091370.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091370

0 1
 O  -0.2648000     -0.3707000      -2.441800    
 O    1.807800      -2.016300      -1.243000    
 O    1.592300       2.300300      0.6209000    
 O  -0.5835000      -2.079900      0.5572000    
 O    4.228500       1.049600      0.2731000    
 C  -0.1912000      0.9630000     -0.3514000    
 C  -4.1400000E-02 -0.4067000      -1.047800    
 C    1.384800     -0.7940000     -0.7867000    
 C    1.224800       1.257700      9.8399997E-02
 C  -0.7297000       2.090300      -1.219700    
 C    2.121700      0.1169000     -0.1474000    
 C  -0.9363000      -1.450500     -0.4393000    
 C    3.526700      2.8600000E-02  0.2173000    
 C   -2.271700      -1.667300      -1.133800    
 C  -0.8566000       3.366900     -0.4400000    
 C    4.105500      -1.361900      0.5078000    
 C   -1.897800       3.775500      0.3099000    
 C   -3.120200      -2.653800     -0.3912000    
 C    3.349100      -2.058400       1.636600    
 C    5.588200      -1.240800      0.8430000    
 C   -1.961500       5.070800       1.068400    
 C   -3.121400       2.910000      0.4526000    
 C   -3.980500      -2.398600      0.6131000    
 C   -4.806200      -3.435500       1.320500    
 C   -4.166800     -0.9952000       1.123500    
 H  -0.7895000      0.8567000      0.5642000    
 H  -5.3599998E-02   2.283500      -2.063000    
 H   -1.692400       1.821600      -1.666200    
 H   -1.133400      2.2800000E-02  -2.622800    
 H   -2.088700      -2.070800      -2.135900    
 H   -2.786200     -0.7089000      -1.251000    
 H  -1.5000000E-03   4.037700     -0.5119000    
 H    4.049400      -1.960700     -0.4069000    
 H    1.080700      -2.416100      -1.750000    
 H   -3.011700      -3.688200     -0.7140000    
 H    2.306000      -2.263500       1.383500    
 H    3.817400      -3.018100       1.880500    
 H    3.348600      -1.443500       2.543800    
 H    6.030700      -2.228400       1.011900    
 H    5.747600     -0.6411000       1.746300    
 H    6.140800     -0.7650000      2.5200000E-02
 H   -2.805400       5.675400      0.7211000    
 H   -2.083000       4.880800       2.139600    
 H   -1.049000       5.661100      0.9347000    
 H   -3.063600       1.948900     -6.0400002E-02
 H   -3.997300       3.436800      5.8899999E-02
 H   -3.301700       2.694000       1.511400    
 H   -4.548600      -3.469800       2.383900    
 H   -5.871800      -3.203800       1.224700    
 H   -4.642200      -4.434800      0.9040000    
 H   -4.128200     -0.9880000       2.218700    
 H   -5.144100     -0.6102000      0.8151000    
 H   -3.401000     -0.2931000      0.7888000    


%chk=000091370-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091370

0 1
O -0.864536 -0.405913 -1.955225
O 1.669945 -1.634885 -1.744974
O 1.604537 1.809683 1.642573
O -0.251551 -2.114747 1.096867
O 4.262030 1.107829 0.172083
C -0.204719 0.938764 0.178907
C -0.192958 -0.400777 -0.640206
C 1.292257 -0.682309 -0.830078
C 1.255189 1.034299 0.719257
C -0.580417 2.179464 -0.693113
C 2.114469 0.078502 -0.035891
C -0.898269 -1.510596 0.207206
C 3.609406 0.032643 0.067162
C -2.377610 -1.732830 -0.072708
C -0.650236 3.460109 0.116696
C 4.272481 -1.351255 0.089885
C -1.676494 4.358575 0.148283
C -3.051408 -2.647956 0.929564
C 3.795606 -2.127275 1.355226
C 5.807174 -1.241975 0.025399
C -1.576704 5.603039 1.016890
C -2.971165 4.244239 -0.638131
C -4.362976 -3.015261 0.907011
C -4.936824 -3.933727 1.972367
C -5.351008 -2.553256 -0.150271
H -0.900887 0.894702 1.035454
H 0.184696 2.294223 -1.494322
H -1.553415 1.983624 -1.182158
H -0.646307 0.433570 -2.436709
H -2.451685 -2.115829 -1.112777
H -2.861888 -0.735164 -0.132218
H 0.233459 3.657976 0.737015
H 3.897465 -1.904870 -0.795508
H 0.876982 -1.896905 -2.289427
H -2.398095 -3.030473 1.724377
H 2.695985 -2.225868 1.392430
H 4.232331 -3.142164 1.351765
H 4.130265 -1.612476 2.274360
H 6.261261 -2.249543 0.012893
H 6.196252 -0.691154 0.899456
H 6.134187 -0.696368 -0.877062
H -1.664533 6.522861 0.404985
H -2.400713 5.635378 1.757281
H -0.620689 5.644267 1.565361
H -3.054242 3.313171 -1.223136
H -3.072501 5.093383 -1.342918
H -3.843090 4.296323 0.043295
H -5.764445 -3.439592 2.519424
H -5.361790 -4.851507 1.519277
H -4.171680 -4.235479 2.707594
H -6.187374 -1.993385 0.313809
H -5.804605 -3.422310 -0.666821
H -4.893060 -1.905477 -0.916101


