%chk=000081789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081789

0 1
 O  -0.6645000     -0.1037000       1.968700    
 O   -1.681500       2.176700       1.095700    
 O   -5.243900      -1.076100      -1.574200    
 C    3.271700      -1.053400      0.1625000    
 C    1.770400     -0.8618000     -6.7699999E-02
 C    4.074900      0.1039000     -0.4342000    
 C   0.9631000      -2.003700      0.5579000    
 C    5.584400     -1.9500000E-02 -0.2049000    
 C  -0.5409000      -1.856700      0.3146000    
 C    6.437300       1.122600     -0.7621000    
 C   -1.136200     -0.6098000      0.9533000    
 C    7.931100      0.9194000     -0.5635000    
 C   -2.345900      2.2000000E-03  0.3333000    
 C   -2.552000       1.360100      0.4377000    
 C   -3.222300     -0.8308000     -0.3288000    
 C   -4.360600     -0.2774000     -0.9150000    
 C   -3.690400       1.913400     -0.1485000    
 C   -4.594800       1.094600     -0.8249000    
 H    3.473200      -1.120600       1.238400    
 H    3.598300      -1.998100     -0.2882000    
 H    1.568100     -0.8173000      -1.144700    
 H    1.462200      9.9900000E-02  0.3576000    
 H    3.881500      0.1630000      -1.512400    
 H    3.728100       1.049100      1.5000000E-03
 H    1.161400      -2.044200       1.635900    
 H    1.295200      -2.959700      0.1352000    
 H    5.771700     -0.1014000      0.8733000    
 H    5.927100     -0.9627000     -0.6496000    
 H  -0.7138000      -1.837400     -0.7673000    
 H   -1.059000      -2.726500      0.7339000    
 H    6.137700       2.062900     -0.2844000    
 H    6.235700       1.233000      -1.834200    
 H    8.488700       1.764600     -0.9787000    
 H    8.175500      0.8387000      0.5003000    
 H    8.271000      7.3000002E-03  -1.064100    
 H   -3.070400      -1.903500     -0.3958000    
 H   -3.878900       2.981500     -8.1600003E-02
 H   -5.477900       1.538000      -1.276900    
 H  -0.8876000       1.686400       1.361500    
 H   -5.970800     -0.5274000      -1.915800    


%chk=000081789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081789

0 1
O -0.537023 0.471726 1.529403
O -2.460978 2.098791 1.693567
O -5.247927 -1.149820 -1.952865
C 3.413370 -0.899963 0.194320
C 1.932638 -0.723159 -0.208649
C 4.368955 0.051881 -0.560082
C 0.988877 -1.685199 0.548741
C 5.849791 -0.117545 -0.151992
C -0.493035 -1.537383 0.146635
C 6.806152 0.835203 -0.905237
C -1.162408 -0.274761 0.679130
C 8.283374 0.657829 -0.491938
C -2.526838 0.093193 0.256561
C -3.123890 1.291682 0.796540
C -3.276706 -0.696702 -0.662933
C -4.571236 -0.315651 -1.040216
C -4.434114 1.663402 0.400651
C -5.151712 0.870821 -0.507687
H 3.515101 -0.730232 1.286449
H 3.723427 -1.950786 0.011628
H 1.828625 -0.888935 -1.302197
H 1.622595 0.320778 -0.009988
H 4.268712 -0.117107 -1.653005
H 4.056835 1.101533 -0.378351
H 1.088696 -1.508231 1.636235
H 1.302998 -2.730633 0.356104
H 5.950988 0.052456 0.940484
H 6.163466 -1.167338 -0.332763
H -0.592519 -1.560667 -0.957398
H -1.082053 -2.402681 0.517566
H 6.493208 1.883595 -0.722626
H 6.703149 0.666293 -1.996822
H 8.946080 1.349209 -1.044539
H 8.417828 0.852142 0.589032
H 8.629106 -0.374215 -0.691563
H -2.860969 -1.613499 -1.088942
H -4.862576 2.576928 0.821580
H -6.165091 1.170869 -0.805171
H -1.537489 1.660590 1.856273
H -6.150503 -0.798814 -2.152132


