%chk=000114601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114601

0 1
 O   -1.946700     -0.9396000     -0.3644000    
 O   -1.031600     -0.7142000       1.741800    
 C   -5.384700      0.6141000     -0.7730000    
 C   -4.087300     -0.1410000      -1.104800    
 C    2.539200      -2.822900      0.4098000    
 C    1.383100      -1.976200      0.9593000    
 C   -3.117200     -0.2382000      6.6500001E-02
 C    3.303500      -2.219700     -0.7715000    
 C   0.2132000      -1.814000     -9.6000005E-03
 C   -6.104300     -7.4699998E-02  0.3889000    
 C   -5.131900       2.082000     -0.4265000    
 C    4.493600       1.506400     -0.7829000    
 C    3.534100       2.644100     -0.4213000    
 C    3.975700     -0.9211000     -0.4323000    
 C  -0.9800000      -1.106100      0.5830000    
 C    3.791800      0.2204000      -1.111400    
 C    2.716100       2.359300      0.8403000    
 C    1.833100       3.541500       1.208100    
 H   -6.032000      0.5748000      -1.657800    
 H   -3.583900      0.3436000      -1.951300    
 H   -4.327600      -1.153800      -1.453800    
 H    2.151200      -3.804900      0.1115000    
 H    3.245000      -3.010000       1.229800    
 H    1.745800     -0.9909000       1.274400    
 H    1.016800      -2.463900       1.872200    
 H   -3.560800     -0.7937000      0.8988000    
 H   -2.819300      0.7580000      0.4094000    
 H    2.631600      -2.103500      -1.629700    
 H    4.079600      -2.930200      -1.081600    
 H  -0.1218000      -2.801700     -0.3462000    
 H   0.5395000      -1.237600     -0.8823000    
 H   -6.223400      -1.146800      0.1999000    
 H   -5.581200      5.4900002E-02   1.341700    
 H   -7.106700      0.3502000      0.5134000    
 H   -4.567800       2.577300      -1.223500    
 H   -6.082300       2.614400     -0.3111000    
 H   -4.576400       2.197700      0.5093000    
 H    5.080500       1.806600      -1.659500    
 H    5.209600       1.362900      3.5700001E-02
 H    4.121600       3.558800     -0.2739000    
 H    2.856000       2.836600      -1.262400    
 H    4.668000     -0.9355000      0.4061000    
 H    3.111200      0.2353000      -1.959000    
 H    3.387800       2.137700       1.677700    
 H    2.078400       1.481100      0.6919000    
 H    1.128200       3.770000      0.4023000    
 H    2.434500       4.435100       1.403100    
 H    1.256000       3.316900       2.110600    


%chk=000114601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114601

0 1
O -1.984650 -0.891986 -0.566138
O -0.495854 0.485441 0.579966
C -5.670306 0.235088 -0.462806
C -4.375125 -0.567639 -0.780937
C 2.411188 -2.910410 0.104434
C 1.273316 -1.971083 0.567490
C -3.100908 0.025731 -0.174869
C 3.430433 -2.258498 -0.875807
C 0.339540 -1.527151 -0.587597
C -5.995567 0.258829 1.051512
C -5.635280 1.669598 -1.045851
C 4.763282 1.433232 -0.228124
C 3.781591 2.614664 0.016131
C 4.118087 -1.042087 -0.288416
C -0.709139 -0.535394 -0.117771
C 4.092361 0.209430 -0.817465
C 2.714717 2.328920 1.097036
C 1.774017 3.528592 1.338379
H -6.494865 -0.308743 -0.969632
H -4.244739 -0.630229 -1.878901
H -4.488513 -1.605037 -0.410571
H 1.981283 -3.815136 -0.372324
H 2.960785 -3.260737 1.001725
H 1.702181 -1.068738 1.041091
H 0.669590 -2.485346 1.340844
H -3.131909 0.076309 0.928073
H -2.869800 1.034280 -0.561154
H 2.930209 -1.981644 -1.824434
H 4.187287 -3.027214 -1.137467
H -0.158091 -2.392143 -1.058215
H 0.940769 -1.020600 -1.367757
H -6.003329 -0.762046 1.477646
H -5.257649 0.858104 1.617249
H -6.990039 0.707973 1.230357
H -5.392382 1.659145 -2.125005
H -6.616109 2.165247 -0.923427
H -4.882725 2.297986 -0.533630
H 5.560215 1.780256 -0.919958
H 5.262497 1.163282 0.723916
H 4.367584 3.510839 0.307747
H 3.275308 2.870916 -0.938501
H 4.663235 -1.205752 0.656074
H 3.537096 0.375446 -1.756694
H 3.224906 2.058517 2.045123
H 2.107326 1.450917 0.805696
H 1.240855 3.801762 0.408098
H 2.335123 4.419385 1.681484
H 1.009997 3.287225 2.099083


