%chk=000226369.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226369

0 1
 O   -4.936800      -1.143400      0.8083000    
 O    4.940400      -1.133800     -0.8054000    
 O   -2.651900      -1.175900       2.366800    
 O    2.672800      -1.145200      -2.389100    
 O  -0.6259000       3.031000      -1.373700    
 O   0.6186000       3.034400       1.366400    
 O   -3.992100      -2.777500     -0.5765000    
 O    3.978500      -2.781800      0.5504000    
 C   -3.973100      0.5416000     -0.5882000    
 C    3.964000      0.5369000      0.5994000    
 C   -1.753000       1.362700     -0.1047000    
 C    1.750400       1.366700      0.1009000    
 C   -2.903100       1.382700     -0.8936000    
 C    2.891800       1.376200      0.9025000    
 C   -3.893000     -0.3197000      0.5060000    
 C    3.894600     -0.3118000     -0.5053000    
 C   -5.196600      0.5780000      -1.443300    
 C    5.178000      0.5618000       1.468100    
 C   -2.742900     -0.3399000       1.295000    
 C    2.753200     -0.3215000      -1.306900    
 C   -1.672900      0.5014000      0.9896000    
 C    1.681100      0.5178000      -1.003800    
 C  -0.6170000       2.254700     -0.4295000    
 C   0.6323000       2.240900      0.4177000    
 C   -6.218900       1.575300     -0.9651000    
 C    6.206900       1.562900       1.012400    
 C   -4.874100      -2.398200      0.1824000    
 C    4.869300      -2.395300     -0.1945000    
 C   -1.441800      -1.134000       3.120500    
 C    1.471100      -1.093000      -3.155400    
 C   -7.450300       1.251300     -0.5550000    
 C    7.442300       1.241700      0.6121000    
 C   -6.061000      -3.226300      0.5768000    
 C    6.059400      -3.220700     -0.5852000    
 H   -2.971800       2.053200      -1.747100    
 H    2.952700       2.036600       1.764400    
 H   -5.639400     -0.4199000      -1.540400    
 H   -4.916100      0.8489000      -2.470200    
 H    5.618400     -0.4378000       1.558800    
 H    4.886700      0.8214000       2.495000    
 H  -0.7667000      0.5142000       1.581400    
 H   0.7813000      0.5378000      -1.605600    
 H   -5.934500       2.624900     -0.9714000    
 H    5.923900       2.612700       1.027500    
 H   -1.543700      -1.862600       3.931600    
 H   -1.291800     -0.1563000       3.591300    
 H  -0.5803000      -1.447600       2.520900    
 H    1.580800      -1.812600      -3.973500    
 H    1.327600     -0.1100000      -3.616800    
 H   0.6027000      -1.412300      -2.568800    
 H   -8.141600       2.020800     -0.2295000    
 H   -7.787300      0.2208000     -0.5346000    
 H    8.138100       2.013900      0.3030000    
 H    7.778100      0.2111000      0.5838000    
 H   -6.061500      -3.378200       1.658800    
 H   -6.001900      -4.202000      8.6300001E-02
 H   -6.979900      -2.728700      0.2566000    
 H    5.995200      -4.200700     -0.1040000    
 H    6.069900      -3.363000      -1.668500    
 H    6.975400      -2.726700     -0.2520000    


%chk=000226369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226369

0 1
O -5.734106 -0.806451 0.965053
O 5.733865 -0.790287 -0.968890
O -3.735927 -0.931965 2.798554
O 3.734320 -0.897803 -2.802617
O -0.404131 1.730533 -1.638808
O 0.402863 1.712676 1.665724
O -5.043047 -3.050886 1.090142
O 5.047212 -3.034826 -1.115335
C -4.260448 0.235829 -0.677752
C 4.260099 0.231944 0.686142
C -1.919114 0.702837 -0.056367
C 1.917872 0.703318 0.071505
C -2.985957 0.755499 -0.989771
C 2.985318 0.746810 1.004755
C -4.446635 -0.340095 0.600654
C 4.446010 -0.329699 -0.598663
C -5.410884 0.324441 -1.673958
C 5.411284 0.310232 1.682346
C -3.394522 -0.386288 1.561596
C 3.393260 -0.366503 -1.559291
C -2.127690 0.129812 1.228372
C 2.126155 0.144615 -1.219508
C -0.593856 1.227799 -0.486342
C 0.592394 1.222474 0.507850
C -6.168478 1.640791 -1.550512
C 6.173369 1.624737 1.567399
C -5.903085 -2.186783 1.316457
C 5.904954 -2.166643 -1.334647
C -2.666098 -1.073148 3.794391
C 2.663850 -1.028923 -3.799140
C -7.503407 1.749367 -1.344185
C 7.508637 1.730179 1.361628
C -7.256063 -2.365822 1.957681
C 7.257105 -2.336343 -1.980134
H -2.793775 1.197669 -1.973166
H 2.793427 1.178044 1.993047
H -6.112869 -0.515150 -1.533035
H -4.992448 0.243338 -2.696764
H 6.110306 -0.530857 1.535496
H 4.992990 0.223702 2.704753
H -1.314589 0.121773 1.955872
H 1.312600 0.143836 -1.946559
H -5.556562 2.551041 -1.640698
H 5.564537 2.536420 1.663746
H -3.146953 -1.544038 4.663496
H -2.255540 -0.086050 4.079419
H -1.856216 -1.723649 3.414356
H 3.144584 -1.489228 -4.673964
H 2.251805 -0.039152 -4.072504
H 1.855116 -1.684772 -3.425900
H -7.994374 2.726454 -1.273834
H -8.142212 0.864206 -1.236012
H 8.002886 2.706052 1.297724
H 8.144437 0.843603 1.247492
H -7.218777 -1.969835 2.988496
H -7.518781 -3.433097 1.988644
H -8.024269 -1.793338 1.412870
H 7.522225 -3.402654 -2.021921
H 7.216926 -1.930509 -3.007008
H 8.025009 -1.767335 -1.431274


