%chk=000005753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005753

0 1
 O  -6.4800002E-02  -1.875200       1.448100    
 O   -5.269000      0.2890000      0.6149000    
 O    6.267100     -0.3792000      -1.274600    
 O   -6.180700      -1.935900     -0.5840000    
 C   -1.100000       1.202100     -0.3027000    
 C   -2.057400      5.1300000E-02  6.5300003E-02
 C   0.2827000       1.077300      0.3511000    
 C   0.9394000     -0.2620000     -0.1195000    
 C    2.420300     -0.4413000      0.4118000    
 C   -1.434600      -1.259400     -0.4480000    
 C   -3.309200      0.5116000     -0.7192000    
 C  -2.0000001E-03  -1.491600      8.1400000E-02
 C   -1.937700       2.451300     -4.9699999E-02
 C    1.167300       2.271900     -3.7599999E-02
 C   -3.349400       2.040200     -0.5077000    
 C    3.219900      0.8346000      0.1146000    
 C   -2.372200     -3.9400000E-02   1.581200    
 C    2.576100       2.137900      0.5203000    
 C    3.055300      -1.652500     -0.3316000    
 C    2.505400     -0.6870000       1.935300    
 C   -4.580800     -0.1597000     -0.3007000    
 C    4.571000      -1.704400     -0.2252000    
 C    4.443900      0.8448000     -0.4391000    
 C    5.171000     -0.4147000     -0.7194000    
 C   -4.961900      -1.409800      -1.064800    
 H  -0.9302000       1.172000      -1.392800    
 H   0.1825000       1.084100       1.440800    
 H    1.029000     -0.1627000      -1.214800    
 H   -1.397900      -1.245200      -1.544900    
 H   -2.063800      -2.108600     -0.1584000    
 H   -3.173500      0.3334000      -1.795000    
 H   0.4049000      -2.352600     -0.4592000    
 H   -1.574700       3.316400     -0.6136000    
 H   -1.941500       2.721900       1.012100    
 H   0.7284000       3.203000      0.3399000    
 H    1.214900       2.365100      -1.130500    
 H   -4.090600       2.373800      0.2257000    
 H   -3.599300       2.535700      -1.453500    
 H   -1.496600      4.0399998E-02   2.223000    
 H   -3.034800      0.7676000       1.913000    
 H   -2.876200     -0.9830000       1.819600    
 H    2.545200       2.196400       1.615200    
 H    3.170100       2.997100      0.1850000    
 H    2.793200      -1.606200      -1.398000    
 H    2.644700      -2.596400      4.6700001E-02
 H    3.532000     -0.5606000       2.302000    
 H    1.884500      1.0100000E-02   2.506200    
 H    2.215400      -1.706700       2.205800    
 H    4.947200      -2.524100     -0.8473000    
 H    4.902500      -1.877100      0.8035000    
 H   3.2600001E-02  -1.091400       2.007600    
 H    4.973600       1.769100     -0.6436000    
 H   -4.191300      -2.171000     -0.9356000    
 H   -5.072100      -1.175000      -2.127200    
 H   -6.877800      -1.287500     -0.7823000    


%chk=000005753-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005753

0 1
O 0.011354 -2.109621 1.343062
O -5.354306 0.123838 0.592542
O 6.360323 -0.529559 -1.288815
O -6.180712 -2.067933 -0.712255
C -1.103621 1.258756 -0.278121
C -2.054085 0.060740 0.040459
C 0.292849 1.130383 0.365915
C 0.955617 -0.205062 -0.105732
C 2.427811 -0.416371 0.444708
C -1.404333 -1.225399 -0.521308
C -3.344288 0.554077 -0.746644
C 0.039133 -1.469684 0.008237
C -1.966177 2.508260 0.015242
C 1.184344 2.326393 -0.050400
C -3.403223 2.091702 -0.447035
C 3.249660 0.832046 0.074116
C -2.385277 -0.052937 1.556408
C 2.644077 2.175578 0.436688
C 3.029006 -1.683170 -0.239537
C 2.495101 -0.572558 2.000461
C -4.613341 -0.191053 -0.385219
C 4.567294 -1.765272 -0.160477
C 4.494120 0.758957 -0.497848
C 5.225925 -0.505431 -0.719307
C -5.019178 -1.392509 -1.241914
H -0.938201 1.228483 -1.381012
H 0.195185 1.142030 1.471833
H 1.082730 -0.080242 -1.208303
H -1.354809 -1.146014 -1.627625
H -1.995177 -2.130196 -0.281335
H -3.138566 0.383183 -1.823378
H 0.485560 -2.266645 -0.610159
H -1.606161 3.404284 -0.519018
H -1.952579 2.744395 1.096216
H 0.761544 3.269938 0.343586
H 1.176072 2.405002 -1.157522
H -4.156677 2.290998 0.334123
H -3.715527 2.642871 -1.351460
H -1.488815 0.086840 2.190256
H -3.114523 0.711247 1.874004
H -2.831289 -1.035727 1.793614
H 2.656585 2.278696 1.542700
H 3.270634 2.994354 0.038479
H 2.738708 -1.678328 -1.310862
H 2.584943 -2.586626 0.216325
H 3.547493 -0.578727 2.337756
H 1.990913 0.259192 2.524576
H 2.014007 -1.515187 2.302892
H 4.954824 -2.642161 -0.708365
H 4.895746 -1.879283 0.892930
H -0.473869 -1.528802 1.979867
H 5.035352 1.674531 -0.771140
H -4.169203 -2.102666 -1.309405
H -5.220547 -1.023203 -2.272458
H -6.502329 -1.518506 0.059259


