%chk=000011687.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011687

0 1
 O   -3.250200      9.3400002E-02   1.842700    
 O   -4.202700      -2.194100      0.8536000    
 O   -4.276300       2.183600     -0.1210000    
 O    6.375400     -0.1252000       1.149400    
 C   -1.962300      0.4752000     -0.2022000    
 C   -1.160500     -0.8208000      7.0699997E-02
 C   0.2558000     -0.7857000     -0.5166000    
 C    1.035000      0.4119000      0.1115000    
 C   -3.322400      6.4000003E-02  0.4213000    
 C   -1.215500       1.629300      0.4875000    
 C    2.523100      0.5110000     -0.4025000    
 C   -2.107800      -1.943000     -0.3606000    
 C   0.2409000       1.741800      1.0000000E-03
 C   -3.520300      -1.383300     -8.9800000E-02
 C    1.005500      -2.097400     -0.2496000    
 C   -2.127900      0.7933000      -1.713600    
 C    3.197900     -0.8619000     -0.2852000    
 C    2.421100      -2.046500     -0.8096000    
 C    3.276300       1.550900      0.4777000    
 C    2.596000      0.9596000      -1.879800    
 C   -4.453800      0.9803000      6.2500000E-02
 C    4.789600       1.478400      0.3467000    
 C    4.424800      -1.054500      0.2275000    
 C    5.275000      8.4500000E-02  0.6430000    
 C   -5.816700      0.3553000     -6.4599998E-02
 H   -1.039000     -0.9342000       1.160700    
 H   0.1939000     -0.6601000      -1.602600    
 H    1.094300      0.1960000       1.191000    
 H   -1.183600       1.482900       1.573600    
 H   -1.726100       2.583800      0.3178000    
 H   -1.987900      -2.151500      -1.430300    
 H   -1.910500      -2.871300      0.1857000    
 H   0.2438000       2.102000      -1.032400    
 H   0.7295000       2.519600      0.5983000    
 H   -4.080600      -1.430100      -1.029000    
 H   0.4752000      -2.937600     -0.7126000    
 H    1.041400      -2.299700      0.8288000    
 H   -1.170600      0.8516000      -2.238300    
 H   -2.724400      4.2800002E-02  -2.241000    
 H   -2.612900       1.762000      -1.870300    
 H    2.380600      -1.988400      -1.904400    
 H    2.926000      -2.990900     -0.5716000    
 H    3.019900       1.389500       1.534200    
 H    2.955900       2.570700      0.2332000    
 H    3.618500      0.8950000      -2.269900    
 H    1.969500      0.3437000      -2.532200    
 H    2.274400       1.999200      -2.002000    
 H   -3.170200       1.018100       2.131400    
 H    5.245400       2.165900       1.068000    
 H    5.126300       1.763400     -0.6548000    
 H    4.864300      -2.043300      0.3060000    
 H   -3.712900      -2.147100       1.692400    
 H   -5.901000     -0.2070000     -0.9962000    
 H   -6.030500     -0.2783000      0.7991000    
 H   -6.568600       1.150900     -7.9800002E-02


%chk=000011687-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011687

0 1
O -3.069654 -0.136257 2.066037
O -4.229153 -2.300081 1.152202
O -4.794608 1.686989 1.419396
O 6.525379 0.051055 0.994988
C -1.988381 0.394457 -0.111717
C -1.154066 -0.908531 0.128350
C 0.252694 -0.850697 -0.500277
C 1.018867 0.375036 0.096701
C -3.327718 -0.040467 0.617476
C -1.244322 1.578177 0.544128
C 2.498969 0.522903 -0.451165
C -2.121062 -2.054218 -0.257606
C 0.200280 1.695307 -0.015210
C -3.550145 -1.527972 0.122581
C 1.040841 -2.150326 -0.224942
C -2.234096 0.676439 -1.618227
C 3.220873 -0.831193 -0.312660
C 2.477824 -2.064781 -0.791421
C 3.237622 1.605200 0.398316
C 2.521430 0.929334 -1.960537
C -4.533064 0.906836 0.453384
C 4.771924 1.588814 0.241460
C 4.498364 -0.943159 0.176932
C 5.354340 0.206527 0.529454
C -5.431526 0.858348 -0.762065
H -1.010451 -0.962770 1.228321
H 0.162372 -0.733508 -1.601538
H 1.123511 0.154876 1.184716
H -1.203871 1.407507 1.636309
H -1.780408 2.533689 0.377414
H -2.066132 -2.280003 -1.339977
H -1.926353 -2.993437 0.286605
H 0.160097 2.025440 -1.070844
H 0.718336 2.498559 0.540128
H -4.225361 -1.559773 -0.748777
H 0.519364 -3.017393 -0.672935
H 1.082153 -2.326126 0.869605
H -1.278361 0.778000 -2.157857
H -2.798696 -0.130719 -2.118228
H -2.783748 1.625249 -1.757609
H 2.410116 -2.032483 -1.900424
H 3.053805 -2.973498 -0.538508
H 2.991258 1.439137 1.466855
H 2.857395 2.608763 0.132146
H 3.556932 0.949199 -2.344382
H 1.950246 0.223413 -2.588804
H 2.091804 1.936737 -2.103621
H -3.548353 0.644818 2.475577
H 5.255009 2.322990 0.910225
H 5.061630 1.866782 -0.792790
H 4.966122 -1.930883 0.283954
H -3.895996 -1.928605 2.019204
H -4.887743 0.674346 -1.700536
H -6.142694 0.018868 -0.625957
H -6.013495 1.790783 -0.831052


