%chk=000023906.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023906

0 1
 O   0.7977000      -1.304200     -0.6103000    
 O    1.864900      -1.113900       1.424300    
 C   -1.347800      -1.481500      0.5303000    
 C   -1.911300     -0.5306000     -0.5467000    
 C    2.677900      0.1476000     -0.4733000    
 C  -0.1308000      -2.230200     -3.7599999E-02
 C   -2.396300      -2.439500       1.139000    
 C   -3.037600      0.3745000     -3.7200000E-02
 C    2.602500       1.552300      0.1522000    
 C    4.126200     -0.3706000     -0.4690000    
 C    1.197600       2.160100      7.0900001E-02
 C    1.748400     -0.8224000      0.2398000    
 C   -3.601000       1.301700      -1.117700    
 C   -3.045500      -3.399800      0.1516000    
 C    1.164200       3.561400      0.6819000    
 C    4.263600      -1.743500      -1.114500    
 C   -4.737100       2.184800     -0.6248000    
 C  -0.2355000       4.153800      0.6409000    
 H  -0.9844000     -0.8440000       1.348300    
 H   -1.117100      0.1230000     -0.9266000    
 H   -2.267100      -1.108700      -1.408000    
 H    2.352400      0.2260000      -1.519600    
 H  -0.4333000      -2.896400     -0.8521000    
 H   0.3449000      -2.860700      0.7233000    
 H   -1.907800      -3.033700       1.922000    
 H   -3.178000      -1.866300       1.649100    
 H   -2.667800      0.9771000      0.8013000    
 H   -3.863500     -0.2349000      0.3451000    
 H    3.309900       2.215500     -0.3612000    
 H    2.913500       1.506100       1.203800    
 H    4.768100      0.3372000      -1.007200    
 H    4.503400     -0.4271000      0.5595000    
 H   0.4816000       1.523700      0.6033000    
 H   0.8754000       2.205900     -0.9763000    
 H   -2.796900       1.940400      -1.502300    
 H   -3.961300      0.7007000      -1.961000    
 H   -2.309700      -4.058500     -0.3175000    
 H   -3.767700      -4.035500      0.6747000    
 H   -3.586800      -2.864500     -0.6335000    
 H    1.851300       4.220700      0.1390000    
 H    1.505900       3.522400       1.722800    
 H    3.877700      -1.735300      -2.138800    
 H    5.318000      -2.035500      -1.152700    
 H    3.727700      -2.511600     -0.5487000    
 H   -5.099200       2.826000      -1.434400    
 H   -5.575800       1.579000     -0.2679000    
 H   -4.403100       2.827200      0.1961000    
 H  -0.9407000       3.533600       1.203700    
 H  -0.5969000       4.234700     -0.3892000    
 H  -0.2367000       5.155500       1.081700    


%chk=000023906-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023906

0 1
O 0.843785 -1.334874 -0.754119
O 1.831764 -1.282731 1.360321
C -1.371659 -1.496291 0.404113
C -2.081679 -0.589355 -0.634641
C 2.754129 0.117509 -0.458760
C -0.202063 -2.273189 -0.237311
C -2.321829 -2.479557 1.149244
C -3.049669 0.444072 -0.014801
C 2.552855 1.507156 0.214281
C 4.218470 -0.379275 -0.301260
C 1.147624 2.113037 -0.001286
C 1.796313 -0.889732 0.169436
C -3.625563 1.431101 -1.056583
C -3.023745 -3.533913 0.261038
C 0.984340 3.505584 0.648390
C 4.509191 -1.695756 -1.052294
C -4.576794 2.475798 -0.434376
C -0.422215 4.104372 0.429591
H -0.925380 -0.840163 1.181139
H -1.303977 -0.047875 -1.209448
H -2.628819 -1.214816 -1.370114
H 2.504207 0.194793 -1.533831
H -0.512192 -2.828366 -1.137689
H 0.267828 -2.954264 0.495736
H -1.738062 -2.999720 1.935483
H -3.090787 -1.887415 1.681731
H -2.513601 1.019841 0.769950
H -3.889542 -0.069969 0.496019
H 3.317166 2.197903 -0.196019
H 2.756209 1.407101 1.299146
H 4.890426 0.418892 -0.673908
H 4.431491 -0.506146 0.777743
H 0.378015 1.431499 0.416031
H 0.939446 2.187799 -1.088985
H -2.786986 1.949541 -1.564909
H -4.161073 0.860577 -1.842835
H -2.297173 -4.192365 -0.249653
H -3.679135 -4.179694 0.873560
H -3.654687 -3.062331 -0.514098
H 1.749604 4.194886 0.236134
H 1.189923 3.425935 1.735187
H 4.298497 -1.595341 -2.133492
H 5.568592 -1.989039 -0.938034
H 3.890109 -2.524991 -0.663292
H -4.979807 3.164857 -1.199283
H -5.434217 1.985508 0.064658
H -4.050902 3.085243 0.325325
H -1.203417 3.443565 0.852458
H -0.637418 4.227447 -0.648937
H -0.521492 5.095151 0.909742


