%chk=000090942.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090942

0 1
 O    3.761800      -1.837600     -9.2900001E-02
 O    1.161000      -1.257100       1.481000    
 O   -6.781200      0.6442000     -0.7357000    
 O   -5.320800       2.355800      0.8967000    
 C    4.571400      0.4076000     -0.4535000    
 C    3.456500     -0.4641000      0.1378000    
 C    5.951100      3.2600001E-02  0.1004000    
 C    2.074400     -0.1372000     -0.4332000    
 C    7.090600      0.8631000     -0.4988000    
 C   0.9360000     -0.6438000      0.4379000    
 C    8.475800      0.4499000     -1.0000000E-03
 C  -0.4754000     -0.3122000     -2.4800001E-02
 C   -1.565100     -0.7872000      0.9383000    
 C   -2.956100     -0.4024000      0.4940000    
 C    9.571500       1.257400     -0.6802000    
 C   -3.508000      0.8117000      0.9024000    
 C   -3.688900      -1.261200     -0.3251000    
 C   -4.792700       1.167300      0.4915000    
 C   -4.973700     -0.9059000     -0.7357000    
 C   -5.525700      0.3084000     -0.3275000    
 C   -7.462400     -0.2894000      -1.571400    
 H    4.365600       1.464800     -0.2489000    
 H    4.589600      0.2818000      -1.543500    
 H    3.456400     -0.3191000       1.224500    
 H    5.950700      0.1567000       1.190300    
 H    6.154600      -1.026500     -9.8200001E-02
 H    1.953600     -0.5813000      -1.427500    
 H    1.952800      0.9493000     -0.5089000    
 H    6.922300       1.922500     -0.2687000    
 H    7.059900      0.7691000      -1.591600    
 H    8.639600     -0.6155000     -0.1997000    
 H    8.537300      0.5918000       1.084000    
 H  -0.5367000      0.7758000     -0.1458000    
 H  -0.6201000     -0.7703000      -1.010100    
 H   -1.508700      -1.877400       1.056700    
 H   -1.381000     -0.3804000       1.941500    
 H    3.798500      -1.977000      -1.054600    
 H    9.452100       2.326900     -0.4795000    
 H    10.55400      0.9495000     -0.3090000    
 H    9.555700       1.106900      -1.764400    
 H   -2.934300       1.480800       1.539400    
 H   -3.267600      -2.208800     -0.6507000    
 H   -5.483600      -1.621600      -1.371300    
 H   -4.672500       2.816500       1.456600    
 H   -8.444200      0.1387000      -1.799100    
 H   -7.641800      -1.238200      -1.054200    
 H   -6.946200     -0.4266000      -2.527700    


%chk=000090942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090942

0 1
O 2.528978 -0.538594 -0.446434
O 0.995587 0.385442 2.942548
O -6.268234 -0.255572 -1.617406
O -5.925256 1.688253 0.197306
C 4.477115 0.914734 0.128935
C 3.135069 0.317919 0.600379
C 5.545834 -0.158496 -0.175609
C 2.125042 1.410835 1.059381
C 6.858583 0.436212 -0.732150
C 0.912470 0.772855 1.744469
C 7.941084 -0.634345 -1.000991
C -0.349088 0.594265 0.910484
C -1.481806 -0.174908 1.630089
C -2.743560 -0.247657 0.783739
C 9.250432 -0.038948 -1.561876
C -3.750598 0.745815 0.902735
C -2.934243 -1.273717 -0.168815
C -4.908442 0.723995 0.098694
C -4.090994 -1.308124 -0.983723
C -5.088201 -0.313544 -0.864156
C -6.478839 -1.318282 -2.600812
H 4.856700 1.600442 0.913273
H 4.300654 1.541165 -0.773572
H 3.305601 -0.382117 1.437903
H 5.763948 -0.723209 0.754330
H 5.132351 -0.893720 -0.893736
H 1.825448 2.023599 0.187028
H 2.630376 2.062092 1.796379
H 7.258897 1.188204 -0.019807
H 6.646732 0.983835 -1.674888
H 7.540107 -1.386764 -1.710324
H 8.154692 -1.179397 -0.059049
H -0.703473 1.598155 0.592894
H -0.051889 0.077546 -0.025560
H -1.115889 -1.189496 1.871758
H -1.683696 0.317355 2.599033
H 2.510932 -0.022495 -1.294052
H 9.687082 0.692981 -0.856262
H 10.006936 -0.823990 -1.744986
H 9.069837 0.485755 -2.519279
H -3.631983 1.548408 1.645192
H -2.178460 -2.060700 -0.275353
H -4.210424 -2.120337 -1.707354
H -5.701977 2.342235 0.906132
H -7.446233 -1.084332 -3.068794
H -6.528962 -2.313783 -2.116975
H -5.682142 -1.321271 -3.370917


