%chk=000062247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062247

0 1
 O  -0.2198000     -0.9398000       1.880400    
 O   0.9548000       1.597300     -0.3861000    
 O  -0.8198000      -1.540800     -0.9020000    
 O    3.023200     -4.7899999E-02  0.4277000    
 O    1.930500      -1.322300       2.700900    
 O   -3.397700      0.1084000      0.4986000    
 O  -0.1482000       4.164400     -0.2607000    
 O   7.2099999E-02  -3.743800      -2.376700    
 O    5.052500       1.455700     -0.7756000    
 O   -5.537900       1.902200      0.3072000    
 C   0.8231000      0.1869000     -0.5632000    
 C  -0.6471000     -0.2121000     -0.4116000    
 C    1.697800     -0.5689000      0.4437000    
 C   -1.090400     -0.1525000       1.060400    
 C    1.133100     -0.4853000       1.862900    
 C   -2.505600     -0.6848000       1.260300    
 C   0.5963000       2.300300      -1.565200    
 C  -0.9089000      -1.560800      -2.318100    
 C    3.770400     -0.5630000     -0.6648000    
 C    1.786800     -0.9698000       4.067700    
 C   0.7316000       3.789700      -1.313700    
 C   -1.067000      -2.995500      -2.783700    
 C   -4.743800     -0.3320000      0.6368000    
 C    5.160300      4.3499999E-02 -0.6435000    
 C   -5.646400      0.5708000     -0.1818000    
 H    1.197600     -5.8100000E-02  -1.559900    
 H   -1.310000      0.4569000     -0.9697000    
 H    1.720200      -1.633700      0.1684000    
 H   -1.053900      0.8894000       1.406200    
 H    1.188200      0.5503000       2.225900    
 H   -2.576700      -1.739100      0.9658000    
 H   -2.769300     -0.6291000       2.324000    
 H    1.260300       2.012200      -2.388100    
 H  -0.4378000       2.087300      -1.848900    
 H   -1.777100     -0.9772000      -2.644500    
 H  -7.3000002E-03  -1.145600      -2.775600    
 H    3.846300      -1.653200     -0.5862000    
 H    3.290500     -0.3000000      -1.612100    
 H   0.7425000      -1.051800       4.384300    
 H    2.156800      4.4799998E-02   4.244700    
 H    2.385000      -1.663100       4.665200    
 H   0.4753000       4.361200      -2.210500    
 H    1.751200       4.036800      -1.001300    
 H   -1.949200      -3.454100      -2.325900    
 H   -1.153200      -3.044400      -3.873000    
 H   -5.027700     -0.2792000       1.694200    
 H   -4.833700      -1.366200      0.2869000    
 H    5.766900     -0.3443000      -1.467000    
 H    5.658000     -0.1664000      0.3085000    
 H   -5.338600      0.5740000      -1.232100    
 H   -6.689300      0.2496000     -0.1065000    
 H  -3.7300002E-02   5.120700     -0.1236000    
 H  -6.0100000E-02  -4.655600      -2.687800    
 H    5.956600       1.813200     -0.7578000    
 H   -6.125200       2.454100     -0.2370000    


%chk=000062247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062247

0 1
O -0.408822 -0.768740 1.898705
O 0.497608 1.656899 -0.469613
O -1.158722 -1.658464 -0.807748
O 2.802571 0.006704 0.144133
O 1.804110 -1.136878 2.576873
O -3.709394 0.164854 0.588282
O -0.143699 4.271969 -1.308126
O 1.026404 -2.302731 -2.785015
O 4.751713 1.030859 -1.838290
O -5.856961 2.018331 0.558532
C 0.486971 0.201249 -0.696032
C -0.979558 -0.240981 -0.463956
C 1.442225 -0.522628 0.283303
C -1.348045 -0.048030 1.019900
C 0.998923 -0.312705 1.737782
C -2.729662 -0.596594 1.376729
C 1.479442 2.403845 -1.296061
C -1.308537 -1.933758 -2.242406
C 3.665870 -0.812522 -0.711429
C 1.592432 -0.897040 4.011668
C 1.230971 3.875159 -0.975095
C -0.285158 -2.970067 -2.695438
C -5.086999 -0.315554 0.781191
C 4.982078 -0.071347 -0.887255
C -5.978673 0.662809 0.016552
H 0.795020 -0.029590 -1.735084
H -1.648655 0.397014 -1.076750
H 1.400189 -1.610154 0.072035
H -1.304659 1.042454 1.227383
H 1.057466 0.763512 2.024441
H -2.777056 -1.672884 1.121213
H -2.917326 -0.462321 2.461982
H 2.508675 2.085342 -1.052425
H 1.273895 2.199283 -2.368063
H -2.328194 -2.337220 -2.407332
H -1.193069 -1.011849 -2.846749
H 3.850462 -1.794673 -0.224606
H 3.196614 -0.983575 -1.702725
H 0.567086 -1.179561 4.309942
H 1.772539 0.168534 4.264180
H 2.327653 -1.530181 4.531481
H 1.888623 4.515468 -1.587082
H 1.443769 4.060449 0.099015
H -0.262851 -3.801024 -1.961263
H -0.588548 -3.367241 -3.688484
H -5.340297 -0.305067 1.863159
H -5.194121 -1.351970 0.392667
H 5.745462 -0.774631 -1.284736
H 5.314595 0.306571 0.101156
H -5.710126 0.639845 -1.060985
H -7.040227 0.384784 0.127960
H -0.730840 3.561970 -0.937838
H 1.724489 -2.970153 -2.999924
H 5.536027 1.634438 -1.842263
H -4.884782 2.207092 0.629007


