%chk=000094870.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094870

0 1
 O  -0.1122000     -0.2691000      0.6331000    
 O    2.120300       2.128400     -9.5200002E-02
 O    6.135900     -0.4099000      0.4803000    
 O   -4.187400       2.211000      0.2573000    
 O   0.1573000     -0.1061000      -1.676200    
 O   -6.350100     -0.2173000       1.079600    
 O   -6.247500     -6.3100003E-02  -1.185800    
 C    2.083600     -0.2564000     -0.2790000    
 C    2.720300      -1.482400     -0.2483000    
 C    2.765100      0.9261000     -6.1900001E-02
 C    4.135500      0.8807000      0.1952000    
 C    4.798000     -0.3463000      0.2305000    
 C   -1.462400     -0.2253000      0.4562000    
 C   -2.142600      0.9925000      0.4472000    
 C    4.090300      -1.527800      8.8000000E-03
 C   -3.547600      -1.392800      0.1008000    
 C   -4.227700     -0.1751000      9.1600001E-02
 C   -3.525400       1.017600      0.2649000    
 C   -2.165000      -1.418000      0.2831000    
 C   0.6246000     -0.2034000     -0.5514000    
 C    1.989100      -2.764300     -0.4833000    
 C    4.896100       2.145900      0.4330000    
 C   -1.387400       2.269500      0.6329000    
 C   -4.272900      -2.686200     -8.3400004E-02
 C   -5.673900     -0.1443000     -9.7599998E-02
 C    2.040600       2.800500      -1.334400    
 C    6.745500      -1.684400      0.5020000    
 H    4.558300      -2.506300      2.5800001E-02
 H   -1.625400      -2.362000      0.2923000    
 H    1.224700      -2.914900      0.2862000    
 H    1.513400      -2.759700      -1.469700    
 H    2.657400      -3.631500     -0.4517000    
 H    5.287900       2.531500     -0.5135000    
 H    4.271700       2.916900      0.8967000    
 H    5.735300       1.988400       1.118900    
 H   -1.041700       2.643700     -0.3358000    
 H   -2.003200       3.042200       1.105100    
 H  -0.5215000       2.134900       1.289600    
 H   -4.999700      -2.836800      0.7215000    
 H   -4.791000      -2.702300      -1.048000    
 H   -3.589700      -3.542500     -6.8999998E-02
 H    1.445800       3.708100      -1.197800    
 H    1.553100       2.182200      -2.093900    
 H    3.035700       3.092300      -1.684500    
 H   -5.139300       2.078000      0.1231000    
 H    6.348700      -2.312200       1.307300    
 H    7.809300      -1.534900      0.7153000    
 H    6.687000      -2.180800     -0.4728000    
 H   -7.321600     -0.1972000      0.9445000    


%chk=000094870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094870

0 1
O -0.189453 -0.497050 0.384244
O 2.379275 2.351837 -0.368306
O 6.246586 -0.409905 0.406079
O -4.236624 2.124991 0.722351
O 0.180697 0.808333 -1.524297
O -6.657623 -1.236714 -0.040112
O -6.467815 0.999338 0.428735
C 2.088398 -0.072334 -0.259646
C 2.628501 -1.368200 -0.022062
C 2.954710 1.064863 -0.258678
C 4.344179 0.955228 -0.021142
C 4.862401 -0.353973 0.189626
C -1.608113 -0.356964 0.290774
C -2.215321 0.887325 0.532828
C 4.021425 -1.491576 0.185398
C -3.739378 -1.541527 0.001351
C -4.418778 -0.290288 0.227540
C -3.640099 0.905321 0.491802
C -2.335760 -1.544207 0.040658
C 0.648235 0.153782 -0.570912
C 1.775456 -2.626333 -0.017616
C 5.246330 2.167114 0.058200
C -1.438498 2.146568 0.833499
C -4.447540 -2.854701 -0.279680
C -5.871958 -0.119318 0.216310
C 2.448114 2.968519 -1.712372
C 6.847294 -1.718667 0.679255
H 4.437093 -2.491057 0.343028
H -1.780421 -2.471548 -0.125392
H 1.133089 -2.662774 0.879431
H 1.103743 -2.670909 -0.893708
H 2.411869 -3.527442 -0.029819
H 5.849886 2.285267 -0.862194
H 4.647668 3.079813 0.207443
H 5.962453 2.060305 0.890411
H -1.142926 2.653189 -0.103662
H -2.057479 2.845701 1.416214
H -0.511003 1.922445 1.387435
H -5.133272 -3.133301 0.538898
H -5.068761 -2.797044 -1.190072
H -3.706593 -3.661099 -0.409459
H 2.044580 3.984789 -1.586354
H 1.821570 2.393999 -2.416443
H 3.493873 3.019310 -2.072221
H -5.255998 2.000523 0.669662
H 6.419292 -2.174117 1.592903
H 7.917599 -1.516168 0.830370
H 6.715082 -2.407191 -0.177447
H -7.610686 -0.947056 -0.013254


