%chk=000126987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126987

0 1
 O   -2.601500     -0.1705000      0.9504000    
 O  -0.5431000      0.5618000      9.0800002E-02
 O    1.638000      -1.094600      0.5264000    
 O   -1.806300       1.499200      -2.144400    
 O   -3.786700     -0.8693000      -2.336700    
 O    2.284200       2.497700      0.8283000    
 O    4.200500       1.637500      -1.157500    
 O   -3.467100       2.470200       1.125000    
 O    5.118100      -1.103500     -0.5864000    
 O    2.952400      -2.882400     -0.1949000    
 O   -3.130500      -2.847500       1.612500    
 C   -1.929500      0.8777000      0.2277000    
 C   -2.590500      0.8759000      -1.146900    
 C   -2.769300     -0.6079000      -1.388100    
 C   -3.182300      -1.086200     -6.0000003E-04
 C    1.586600      0.2069000       1.113300    
 C    2.268900       1.221900      0.1932000    
 C   0.1182000      0.5504000       1.342800    
 C    3.703500      0.7944000     -0.1170000    
 C   -2.085400       2.201600      0.9593000    
 C    3.760200     -0.6638000     -0.5726000    
 C    2.972200      -1.572200      0.3710000    
 C   -2.710500      -2.497400      0.3041000    
 H   -3.570200       1.369100      -1.133700    
 H   -1.841600      -1.071500      -1.742400    
 H   -4.268800      -1.032000      0.1411000    
 H    2.081500      0.1798000       2.093500    
 H    1.721700       1.333900     -0.7504000    
 H   0.1044000       1.522100       1.839600    
 H  -0.3321000     -0.2065000       1.995100    
 H    4.357400      0.9536000      0.7493000    
 H   -1.608000       3.024600      0.4173000    
 H   -1.698000       2.180000       1.979200    
 H    3.389500     -0.7460000      -1.601400    
 H    3.450700      -1.658500       1.353400    
 H   -1.618200      -2.570600      0.2758000    
 H   -3.132400      -3.218900     -0.4016000    
 H   -2.241800       1.340500      -2.999200    
 H   -4.606000     -0.4411000      -2.035700    
 H    2.771600       2.411000       1.665300    
 H    4.138800       2.555600     -0.8426000    
 H   -3.542000       3.329800       1.573400    
 H    5.467200      -1.031600      0.3184000    
 H    2.857400      -2.801500      -1.158500    
 H   -2.750600      -2.195900       2.226400    


%chk=000126987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126987

0 1
O -2.571779 -0.079545 0.970752
O -0.564986 1.108109 0.315358
O 1.288701 -1.020296 0.707453
O -1.715084 1.841040 -2.035560
O -2.944637 -1.027306 -2.587766
O 2.614871 2.529194 0.962165
O 4.284073 1.270772 -1.135208
O -3.982421 2.477948 0.771632
O 4.563510 -1.542428 -1.005534
O 2.216258 -3.029243 -0.073402
O -2.564279 -2.950051 1.634444
C -2.026663 1.126090 0.322053
C -2.468332 0.977190 -1.146663
C -2.262578 -0.534761 -1.389753
C -2.738210 -1.167576 -0.061910
C 1.479234 0.315023 1.306865
C 2.286374 1.223821 0.346332
C 0.089228 0.875404 1.609388
C 3.580151 0.522899 -0.089572
C -2.552909 2.354744 1.070599
C 3.311836 -0.873573 -0.669019
C 2.561370 -1.727584 0.374038
C -1.976757 -2.409163 0.400929
H -3.554386 1.210724 -1.185698
H -1.193985 -0.731317 -1.575628
H -3.825085 -1.390293 -0.094317
H 2.037180 0.215223 2.271524
H 1.662053 1.485401 -0.522657
H 0.198231 1.827835 2.166860
H -0.487509 0.145117 2.206382
H 4.245984 0.409348 0.800870
H -1.985177 3.235570 0.709341
H -2.381883 2.214420 2.158319
H 2.664737 -0.757634 -1.568524
H 3.164884 -1.872588 1.291237
H -0.903417 -2.167257 0.532402
H -2.086734 -3.213212 -0.347184
H -1.949627 1.590968 -2.965975
H -3.925920 -0.961613 -2.452925
H 3.138242 2.367674 1.791703
H 4.282057 2.230124 -0.882360
H -4.354126 3.257574 1.252294
H 5.103288 -0.897172 -1.533759
H 1.893617 -2.996039 -1.010045
H -2.518793 -2.237759 2.322519


