%chk=000094771.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094771

0 1
 O   -1.551100       2.972300      0.1995000    
 O   -3.659700      -2.887600     -0.1003000    
 O    4.312200      -2.145300     -0.6715000    
 C  -0.7064000       1.915200     -0.3061000    
 C   0.5833000       1.889300      0.6126000    
 C  -0.3398000       2.358300      -1.756700    
 C   0.2137000       1.926900       2.123100    
 C   -1.508700      0.6098000     -0.2499000    
 C    1.592200      0.7981000      0.2655000    
 C   -1.541000       2.582600      -2.675600    
 C    1.417700       2.169400       3.029400    
 C   -1.307300     -0.3263000      -1.235700    
 C   -2.396600      0.4306000      0.7836000    
 C    2.542100       1.056100     -0.6985000    
 C    1.517600     -0.4077000      0.9278000    
 C   -2.038100      -1.513400      -1.184800    
 C   -3.127200     -0.7566000      0.8346000    
 C    3.463500      5.8200002E-02  -1.016000    
 C    2.439100      -1.405500      0.6102000    
 C   -2.948000      -1.728600     -0.1497000    
 C    3.412100      -1.172700     -0.3616000    
 C   -4.572800      -3.043100      0.9848000    
 C    4.203200      -3.380000      3.5300002E-02
 H    1.090900       2.853300      0.4474000    
 H   0.3445000       1.658200      -2.244400    
 H   0.1941000       3.316900      -1.702700    
 H  -0.2954000       1.018300       2.456100    
 H  -0.4851000       2.750400       2.312000    
 H   -1.188300       2.882400      -3.668600    
 H   -2.154500       1.688600      -2.805600    
 H   -2.182400       3.388700      -2.306600    
 H   -2.441200       2.875500     -0.1794000    
 H    1.084500       2.285900       4.066100    
 H    2.131100       1.341600       3.007200    
 H    1.944200       3.085700       2.743400    
 H  -0.5925000     -0.2126000      -2.041000    
 H   -2.555400       1.170500       1.561200    
 H    2.597500       2.013100      -1.207600    
 H   0.7623000     -0.6337000       1.671200    
 H   -1.889800      -2.269900      -1.950500    
 H   -3.816500     -0.8592000       1.665700    
 H    4.220500      0.2461000      -1.772600    
 H    2.339300      -2.339700       1.152500    
 H   -4.053300      -3.056700       1.949000    
 H   -5.052300      -4.020300      0.8664000    
 H   -5.368100      -2.290700      0.9524000    
 H    4.375600      -3.245800       1.108600    
 H    4.996900      -4.036400     -0.3364000    
 H    3.251200      -3.879900     -0.1728000    


%chk=000094771-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094771

0 1
O -1.442923 3.060420 0.099480
O -4.060427 -2.842601 0.279155
O 4.818460 -1.761831 -0.825395
C -0.691611 1.840734 -0.319175
C 0.548942 1.855009 0.668273
C -0.212398 2.045848 -1.785389
C 0.116059 1.740138 2.155429
C -1.598404 0.605824 -0.157363
C 1.643936 0.856961 0.286467
C -1.346503 2.261432 -2.811447
C 1.264798 2.061643 3.135143
C -1.378107 -0.596031 -0.887070
C -2.689393 0.632484 0.745736
C 2.810414 1.300803 -0.395862
C 1.564705 -0.520081 0.611060
C -2.208539 -1.718059 -0.719903
C -3.536185 -0.484938 0.927674
C 3.844195 0.415841 -0.752768
C 2.590115 -1.428611 0.261382
C -3.293177 -1.669137 0.190481
C 3.735072 -0.958724 -0.427439
C -5.194624 -2.838894 1.205332
C 4.754466 -3.187645 -0.500173
H 0.964962 2.875531 0.535173
H 0.408585 1.185730 -2.093721
H 0.456726 2.928029 -1.789213
H -0.274409 0.725072 2.360498
H -0.719455 2.443794 2.320688
H -0.928329 2.353697 -3.830046
H -2.059808 1.417898 -2.813675
H -1.910454 3.194127 -2.614715
H -2.231800 3.146023 -0.495223
H 0.922275 1.983138 4.183687
H 2.115624 1.369055 3.001956
H 1.640851 3.091094 2.980105
H -0.545010 -0.664922 -1.593857
H -2.876288 1.547983 1.315971
H 2.912913 2.364593 -0.643345
H 0.690318 -0.901573 1.149012
H -2.037926 -2.640078 -1.284214
H -4.367350 -0.418454 1.636550
H 4.741600 0.763442 -1.273871
H 2.485618 -2.483836 0.532155
H -4.863298 -2.670697 2.248797
H -5.642548 -3.839586 1.115817
H -5.941350 -2.069900 0.926137
H 4.703916 -3.350553 0.594334
H 5.687605 -3.615597 -0.895544
H 3.885962 -3.674298 -0.986086


