%chk=000158533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158533

0 1
 O   -6.030300      -1.381900      0.3625000    
 O    3.637700      -2.112100     -0.1907000    
 O    4.655900      0.4695000     -0.2966000    
 O    4.489600      0.6269000       2.033100    
 C   -3.267000      0.5898000     -0.3779000    
 C   -3.753700     -0.5443000      0.5485000    
 C   -1.780400      0.8737000     -0.1703000    
 C  -0.9800000     -0.4079000     -0.5605000    
 C   -3.039500      -1.825700      0.1327000    
 C   -4.293000       1.699500     -0.1794000    
 C   -1.508600      -1.658500      0.1950000    
 C   -1.276300       2.048500      -1.009700    
 C   -5.237000     -0.4583000      0.2380000    
 C   -5.626600      0.9380000     -0.2178000    
 C   -3.607600     -0.2933000       2.060800    
 C   0.5241000     -0.1739000     -0.4529000    
 C   0.1755000       2.354500     -0.6529000    
 C    1.054000       1.132100     -0.5419000    
 C    1.423000      -1.250700     -0.3523000    
 C    2.444500       1.329700     -0.4758000    
 C    2.802500      -1.040800     -0.2967000    
 C    3.313500      0.2494000     -0.3537000    
 C    4.093900      -2.700800      -1.406900    
 C    5.152400      0.6511000       1.004500    
 C    6.633300      0.8856000      0.9608000    
 H   -3.385200      0.2651000      -1.426400    
 H   -1.596100       1.117700      0.8839000    
 H   -1.160500     -0.5982000      -1.630100    
 H   -3.329200      -2.104300     -0.8891000    
 H   -3.344400      -2.664900      0.7697000    
 H   -4.252600       2.456900     -0.9683000    
 H   -4.157600       2.210000      0.7801000    
 H   -1.184700      -1.618900       1.242300    
 H   -1.068500      -2.569400     -0.2269000    
 H   -1.878300       2.947400     -0.8373000    
 H   -1.356600       1.809900      -2.078100    
 H   -6.017700      0.8802000      -1.237600    
 H   -6.362000       1.380400      0.4574000    
 H   -2.566300     -0.1825000       2.374500    
 H   -4.147500      0.6007000       2.390600    
 H   -4.029100      -1.133600       2.625900    
 H   0.2029000       2.875700      0.3127000    
 H   0.5842000       3.038200      -1.406800    
 H    1.061800      -2.274800     -0.3220000    
 H    2.849100       2.338900     -0.5231000    
 H    4.753000      -3.536600      -1.156700    
 H    4.659600      -1.974000      -1.998400    
 H    3.249100      -3.083000      -1.988500    
 H    7.130300      2.1199999E-02  0.5138000    
 H    7.010100       1.017400       1.979000    
 H    6.846500       1.791700      0.3886000    


%chk=000158533-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158533

0 1
O -6.209006 -1.413146 0.171910
O 3.465331 -2.419521 -0.142147
O 4.705154 0.171806 -0.199763
O 4.705574 1.681831 1.609200
C -3.334056 0.649505 -0.369366
C -3.877436 -0.560293 0.451755
C -1.833578 0.883057 -0.127469
C -1.068405 -0.409229 -0.563745
C -3.156357 -1.847509 0.002368
C -4.372669 1.776152 -0.120578
C -1.616720 -1.687711 0.138908
C -1.260227 2.096596 -0.889019
C -5.386107 -0.466681 0.154679
C -5.726213 1.007976 -0.168463
C -3.761809 -0.374107 1.999852
C 0.452912 -0.230690 -0.431169
C 0.202898 2.344709 -0.468652
C 1.041821 1.069575 -0.425264
C 1.310665 -1.357095 -0.370244
C 2.448393 1.195016 -0.342436
C 2.712663 -1.236058 -0.284464
C 3.277828 0.064609 -0.258442
C 4.488493 -2.676513 -1.177178
C 5.328342 0.992282 0.783186
C 6.828574 0.866074 0.644066
H -3.440419 0.363581 -1.443373
H -1.660124 1.054378 0.956600
H -1.285571 -0.531335 -1.651505
H -3.414016 -2.056814 -1.055576
H -3.501774 -2.717588 0.591184
H -4.321992 2.574715 -0.880581
H -4.218162 2.250999 0.866343
H -1.322045 -1.671030 1.206466
H -1.142803 -2.586925 -0.296456
H -1.861675 3.002920 -0.685558
H -1.320030 1.904453 -1.980280
H -6.177127 1.037423 -1.179440
H -6.495852 1.387166 0.527857
H -2.708984 -0.345138 2.326851
H -4.247411 0.553800 2.351522
H -4.253752 -1.224879 2.504667
H 0.212130 2.807157 0.540568
H 0.679485 3.080360 -1.144934
H 0.912814 -2.375622 -0.379681
H 2.900964 2.191430 -0.319803
H 4.953544 -3.631989 -0.890114
H 5.243949 -1.872606 -1.200749
H 4.011793 -2.775356 -2.171911
H 7.140199 -0.164730 0.889166
H 7.324806 1.570594 1.326632
H 7.136187 1.065698 -0.396315


