%chk=000112839.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112839

0 1
 O   0.1859000      -2.399600      0.4813000    
 O    3.434600       1.985300     -0.3031000    
 O   -4.066900       1.005300      0.8961000    
 O   -3.723900      0.1562000      -1.221300    
 C  -0.9515000     -9.9299997E-02 -0.7748000    
 C   0.4846000     -0.1616000     -0.3234000    
 C   -1.868400      0.4305000      0.3271000    
 C   0.9783000      -1.309400      0.2812000    
 C    1.296900      0.9464000     -0.5234000    
 C    2.628700      0.9055000     -0.1104000    
 C    2.310000      -1.350200      0.6941000    
 C    3.135300     -0.2428000      0.4983000    
 C   -3.310100      0.4998000     -0.1226000    
 C   0.1465000      -3.372000     -0.5611000    
 C    4.785900       1.874500      0.1413000    
 C   -5.465800       1.131400      0.6208000    
 H   -1.302000      -1.077800      -1.120800    
 H   -1.025100      0.5474000      -1.660000    
 H   -1.817800     -0.2238000       1.205300    
 H   -1.554700       1.438500      0.6233000    
 H   0.9071000       1.844500     -0.9954000    
 H    2.710200      -2.241700       1.169600    
 H    4.158900     -0.3424000      0.8428000    
 H    1.045800      -3.994000     -0.5169000    
 H   6.9200002E-02  -2.908400      -1.549800    
 H  -0.7277000      -4.009400     -0.4028000    
 H    5.325100       1.090700     -0.4015000    
 H    4.842800       1.742000       1.227100    
 H    5.281400       2.822900     -9.1100000E-02
 H   -5.626600       1.816500     -0.2171000    
 H   -5.951300       1.543700       1.509300    
 H   -5.899600      0.1499000      0.4070000    


%chk=000112839-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112839

0 1
O -0.142950 -2.170826 -0.242424
O 3.597841 2.041996 -0.184282
O -4.206984 0.687715 0.961477
O -3.844609 0.697869 -1.338960
C -0.984545 0.398863 -0.982380
C 0.452594 0.130041 -0.571303
C -1.951668 0.335050 0.224900
C 0.868023 -1.184472 -0.192389
C 1.410799 1.159431 -0.547686
C 2.753361 0.915250 -0.159746
C 2.201013 -1.436826 0.190980
C 3.152499 -0.386916 0.210644
C -3.392765 0.589216 -0.175993
C 0.244365 -3.548250 0.059566
C 4.993693 1.837766 0.200565
C -5.647843 0.917467 0.697628
H -1.314815 -0.346945 -1.727386
H -1.059504 1.391158 -1.461346
H -1.893223 -0.665050 0.693730
H -1.667718 1.063105 1.007028
H 1.131630 2.177922 -0.837552
H 2.521628 -2.442692 0.478204
H 4.181206 -0.605181 0.511750
H 0.605485 -3.648750 1.102302
H 1.026097 -3.908638 -0.637699
H -0.672287 -4.142119 -0.072648
H 5.499623 1.121014 -0.476519
H 5.077488 1.479166 1.245834
H 5.466162 2.827156 0.110777
H -5.790734 1.860606 0.143485
H -6.111070 0.968180 1.693048
H -6.066992 0.086292 0.105494


