%chk=000073588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073588

0 1
 O    2.158000       2.834300      0.2692000    
 O  -0.8518000      -2.816600     -1.1600000E-02
 O   -3.431900      -2.120200     -0.5047000    
 C    1.230700     -0.6535000      0.4370000    
 C    2.013000      0.4678000     -0.3382000    
 C    3.578800      0.3656000     -0.3879000    
 C    1.795800      -2.032700     -1.1700000E-02
 C    3.976300      -1.067600     -0.8154000    
 C    3.316700      -2.149200      2.1900000E-02
 C  -0.2999000     -0.4829000      0.1429000    
 C    1.369100     -0.5541000       1.978000    
 C    1.469900       1.838900      6.5200001E-02
 C    4.297000      0.7206000      0.9299000    
 C    4.138600       1.313800      -1.481800    
 C  -0.8113000      0.9043000      0.1132000    
 C  -1.9000000E-03   1.976500      0.1306000    
 C   -1.195800      -1.482800     -3.9999999E-02
 C   -2.243500       1.165400      9.8499998E-02
 C   -3.142600      0.1910000     -8.3300002E-02
 C   -2.655200      -1.205100     -0.2426000    
 C   -4.618200      0.4284000     -0.1394000    
 C   -5.112700       1.017000       1.179500    
 C   -4.979000       1.341400      -1.309500    
 H    1.701200      0.3682000      -1.393100    
 H    1.467200      -2.246400      -1.037900    
 H    1.407200      -2.833300      0.6289000    
 H    5.065700      -1.192500     -0.7692000    
 H    3.696700      -1.228400      -1.865800    
 H    3.685800      -2.121000       1.051800    
 H    3.605200      -3.131000     -0.3734000    
 H   0.6458000      -1.212700       2.476100    
 H    2.348800     -0.8675000       2.339400    
 H    1.190200      0.4587000       2.353400    
 H    5.385000      0.7029000      0.7895000    
 H    4.045400       1.722100       1.287400    
 H    4.086000      2.0300001E-02   1.736800    
 H    3.642000       1.148200      -2.444500    
 H    4.018100       2.368800      -1.221200    
 H    5.211400       1.145300      -1.635100    
 H  -0.3827000       2.993600      0.1543000    
 H   -2.573100       2.194600      0.2146000    
 H   -5.157300     -0.5141000     -0.2897000    
 H   -1.661900      -3.337300     -0.1473000    
 H   -4.705300       2.016000       1.370100    
 H   -4.843900      0.3736000       2.025000    
 H   -6.204800       1.108000       1.169900    
 H   -4.614500      0.9298000      -2.257400    
 H   -4.564100       2.349000      -1.195300    
 H   -6.067000       1.444200      -1.391300    


%chk=000073588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073588

0 1
O 2.260776 2.857577 0.579543
O -0.930689 -2.808107 0.423137
O -3.445017 -2.241468 0.104460
C 1.264809 -0.672902 0.439738
C 2.058937 0.514776 -0.264673
C 3.624350 0.399016 -0.374799
C 1.752214 -2.010577 -0.202741
C 3.967519 -1.008805 -0.950711
C 3.286724 -2.164591 -0.194881
C -0.253585 -0.457412 0.213485
C 1.453131 -0.712991 1.990763
C 1.538546 1.868418 0.234912
C 4.391490 0.630205 0.957378
C 4.124539 1.457781 -1.402464
C -0.782281 0.910863 0.146870
C 0.071933 2.003761 0.230563
C -1.207473 -1.463025 0.236562
C -2.220449 1.173009 0.041088
C -3.164601 0.174535 -0.019073
C -2.673854 -1.207710 0.092873
C -4.662322 0.417753 -0.167793
C -5.228611 1.217590 1.036061
C -4.986935 1.127293 -1.509914
H 1.700863 0.464917 -1.321659
H 1.394568 -2.049265 -1.252772
H 1.280200 -2.857175 0.319158
H 5.068775 -1.132626 -0.944065
H 3.649338 -1.046807 -2.014770
H 3.664232 -2.223237 0.844687
H 3.549583 -3.129509 -0.670204
H 0.790105 -1.485847 2.418822
H 2.487494 -0.963627 2.271431
H 1.200537 0.256086 2.458347
H 5.475738 0.682239 0.741968
H 4.091861 1.581729 1.425194
H 4.242432 -0.184134 1.685597
H 3.574761 1.378239 -2.360912
H 4.007684 2.482298 -1.014044
H 5.196905 1.288554 -1.617329
H -0.325934 3.023765 0.300665
H -2.527244 2.225391 -0.007110
H -5.145824 -0.576647 -0.177010
H -1.828406 -3.272526 0.379992
H -4.784793 2.229456 1.092271
H -5.027061 0.701761 1.991814
H -6.322868 1.334725 0.933131
H -4.612615 0.546966 -2.372152
H -4.532193 2.134994 -1.551982
H -6.080091 1.244690 -1.623649


