%chk=000162647.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162647

0 1
 O   -3.787100      0.3083000      -1.204800    
 O    4.521900      0.9298000      -1.554200    
 O    3.246600       2.519400     -0.5328000    
 O   -4.517500       1.406900      0.6917000    
 C  -0.9066000     -0.1722000      0.9812000    
 C  -4.6300001E-02  -1.276900      0.2587000    
 C    1.365300     -0.7996000     -0.3044000    
 C    2.095500      1.6500000E-02  0.8260000    
 C   -1.721400      0.6665000     -1.5400000E-02
 C  -6.3900001E-02  0.6932000       1.923700    
 C   -2.736600     -0.3524000     -0.5251000    
 C  -0.8950000      -2.114600     -0.7412000    
 C   -2.070800     -0.8321000       1.788400    
 C    1.234400       1.198000       1.305500    
 C    3.589300      0.3694000      0.5365000    
 C    2.240600      -2.055900     -0.6105000    
 C   -2.028900      -1.355400      -1.441400    
 C   -3.173900     -0.9941000      0.7708000    
 C    1.213200     -2.3000001E-03  -1.619800    
 C    4.367000     -0.9098000      0.1585000    
 C    3.700800      -1.739800     -0.9309000    
 C    4.279400      0.9809000       1.774300    
 C    3.746900       1.404600     -0.5486000    
 C   -4.350800      -1.577900       1.022300    
 C   -4.396600       1.329400     -0.5234000    
 C   -4.905500       2.360000      -1.485000    
 H   0.2218000      -1.988100       1.057300    
 H    2.147000     -0.6682000       1.689700    
 H   -1.138600       1.090100     -0.8339000    
 H   -2.155800       1.533800      0.4940000    
 H   0.1854000      0.1087000       2.819900    
 H  -0.6457000       1.552600       2.280500    
 H   -1.352800      -2.936700     -0.1727000    
 H  -0.2814000      -2.613400      -1.495700    
 H   -2.417000     -0.1666000       2.589000    
 H   -1.774100      -1.788500       2.230900    
 H    1.009300       1.897200      0.4955000    
 H    1.754900       1.773800       2.076500    
 H    1.830200      -2.623000      -1.453100    
 H    2.220700      -2.733400      0.2536000    
 H   -1.642800     -0.8267000      -2.321300    
 H   -2.754100      -2.075300      -1.843200    
 H    2.159000      0.1460000      -2.141500    
 H   0.5806000     -0.5302000      -2.337800    
 H   0.7935000      0.9919000      -1.469500    
 H    4.438500      -1.545700       1.053200    
 H    5.408500     -0.7003000     -0.1185000    
 H    3.781300      -1.274300      -1.916300    
 H    4.245500      -2.688500      -1.022200    
 H    4.147500      0.3444000       2.656300    
 H    5.357800       1.093900       1.606100    
 H    3.902200       1.979600       2.017800    
 H   -5.114700      -1.659000      0.2570000    
 H   -4.569100      -1.992900       2.000300    
 H    4.633300       1.588100      -2.272800    
 H   -5.640700       1.909000      -2.156000    
 H   -4.071200       2.779200      -2.052900    
 H   -5.389800       3.167600     -0.9287000    


%chk=000162647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162647

0 1
O -3.770053 0.509884 -1.266102
O 4.770112 1.043643 -1.552173
O 3.360629 2.515908 -0.474491
O -4.441227 1.932614 0.478524
C -0.828937 -0.101994 1.056087
C -0.006782 -1.206586 0.297418
C 1.404539 -0.770259 -0.290596
C 2.188814 -0.024293 0.858444
C -1.596815 0.836952 0.071246
C 0.067643 0.665697 2.050217
C -2.678273 -0.127847 -0.467115
C -0.930354 -1.971673 -0.714267
C -2.039733 -0.765816 1.810071
C 1.380981 1.170661 1.419316
C 3.710302 0.269496 0.537433
C 2.192507 -2.082644 -0.626745
C -2.004701 -1.116171 -1.445853
C -3.160926 -0.879947 0.779809
C 1.288326 0.077358 -1.587111
C 4.404849 -1.066986 0.143966
C 3.679798 -1.847389 -0.969049
C 4.429156 0.824454 1.811414
C 3.878150 1.375541 -0.512701
C -4.327808 -1.551653 0.892837
C -4.573608 1.500374 -0.687478
C -5.610875 1.961378 -1.692639
H 0.263191 -1.948194 1.084137
H 2.255261 -0.766093 1.690353
H -0.983148 1.251365 -0.741714
H -2.055098 1.665238 0.637333
H 0.314873 -0.004420 2.902156
H -0.507168 1.514572 2.471408
H -1.468655 -2.759213 -0.153550
H -0.324555 -2.502637 -1.470693
H -2.359020 -0.090566 2.630057
H -1.775277 -1.737717 2.267086
H 1.176276 1.914663 0.629578
H 1.966675 1.701882 2.190697
H 1.709280 -2.610520 -1.471339
H 2.131532 -2.763736 0.249242
H -1.571439 -0.532146 -2.278473
H -2.776294 -1.784856 -1.870804
H 2.258577 0.152226 -2.107795
H 0.586994 -0.396439 -2.296050
H 0.944259 1.106650 -1.397357
H 4.434355 -1.691205 1.061712
H 5.451683 -0.869390 -0.148120
H 3.783184 -1.304498 -1.926024
H 4.179187 -2.825628 -1.112720
H 4.219012 0.162773 2.671714
H 5.523144 0.843793 1.652655
H 4.100624 1.846236 2.061479
H -5.065680 -1.555868 0.081835
H -4.594987 -2.091809 1.807981
H 4.859862 1.839876 -2.145358
H -6.227658 1.107392 -2.022274
H -5.114366 2.372120 -2.589072
H -6.251140 2.730448 -1.236945


