%chk=000131191.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131191

0 1
 O  -0.5956000     -0.4718000     -0.1983000    
 O    1.887300       3.650200     -0.6800000    
 O    4.010800     -0.3370000      0.8568000    
 O    1.344200      -2.138400       1.822000    
 O    5.315200       1.837300      4.6399999E-02
 C   -2.966500     -0.5500000      6.6500001E-02
 C   -4.252000      0.3306000      0.2250000    
 C   -3.442900       1.038500       1.360600    
 C   -1.800900      0.1134000     -0.7153000    
 C   -2.835600     -0.3678000       1.614200    
 C   -1.908400       1.652500     -0.5431000    
 C   -2.373600       2.030500      0.8821000    
 C   -5.446100     -0.4646000      0.7523000    
 C   -4.784600       1.154000     -0.9239000    
 C  -0.6241000       2.372300     -0.9430000    
 C   -1.912600     -0.2879000      -2.192500    
 C   0.5872000       1.648700     -0.4463000    
 C   0.5330000      0.2917000     -0.1270000    
 C    1.809800       2.327900     -0.3437000    
 C    1.682900     -0.3702000      0.3158000    
 C    2.956000       1.664900      9.4499998E-02
 C    2.891700      0.3151000      0.4266000    
 C    1.628800      -1.788000      0.6635000    
 C    1.902200      -2.845800     -0.4185000    
 C    4.221800       2.382700      0.2011000    
 C    1.118100      -4.157200     -0.2344000    
 C  -0.3850000      -3.870700     -0.2165000    
 C    1.438800      -5.160900      -1.345100    
 H   -3.135700      -1.592700     -0.2277000    
 H   -4.026500       1.431900       2.199400    
 H   -1.818500     -0.3736000       2.022000    
 H   -3.405500      -1.049800       2.251300    
 H   -2.631100       2.051600      -1.254000    
 H   -1.536500       2.046300       1.589800    
 H   -2.790200       3.044800      0.8647000    
 H   -6.215400      0.2086000       1.150100    
 H   -5.903600      -1.049300     -5.5900000E-02
 H   -5.228000      -1.182400       1.545600    
 H   -4.507900       2.209900     -0.8758000    
 H   -4.540700      0.7354000      -1.899500    
 H   -5.882900       1.200200     -0.9119000    
 H  -0.6519000       3.402400     -0.5680000    
 H  -0.5560000       2.425800      -2.037300    
 H   -1.030300      4.4000000E-02  -2.751600    
 H   -1.939800      -1.379100      -2.295600    
 H   -2.790700      0.1148000      -2.696200    
 H    2.780900       3.864100     -0.9929000    
 H    2.978900      -3.052200     -0.4000000    
 H    1.666900      -2.409000      -1.397000    
 H    4.176400       3.462500      0.4183000    
 H    4.742000      0.2826000       1.004200    
 H    1.393000      -4.607700      0.7274000    
 H  -0.7040000      -3.365500      -1.134300    
 H  -0.9525000      -4.804500     -0.1365000    
 H  -0.6762000      -3.248100      0.6342000    
 H    1.163300      -4.766500      -2.329100    
 H   0.8966000      -6.099700      -1.190700    
 H    2.509500      -5.390200      -1.359400    


%chk=000131191-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131191

0 1
O -0.891839 -0.346482 -0.992123
O 1.774883 3.602390 -0.464270
O 3.480447 -0.802868 0.932833
O -0.089330 -2.430225 0.843768
O 4.917505 1.246666 1.227446
C -3.055874 -0.205916 0.116054
C -4.296554 0.706024 0.556928
C -3.222088 1.507685 1.399861
C -2.236915 0.404519 -1.048169
C -2.383871 0.189956 1.476184
C -2.067040 1.956038 -0.895201
C -2.425868 2.511317 0.528643
C -5.250562 -0.110363 1.468008
C -5.186979 1.455654 -0.455348
C -0.665244 2.423074 -1.371244
C -2.772854 0.007091 -2.431274
C 0.434802 1.653312 -0.681883
C 0.253979 0.248262 -0.518229
C 1.645819 2.218655 -0.271714
C 1.257849 -0.613342 0.022056
C 2.703851 1.413225 0.284650
C 2.484271 -0.020768 0.397831
C 0.966509 -2.082969 0.244860
C 1.978482 -3.099980 -0.277095
C 3.957559 1.958715 0.730731
C 1.457355 -4.554819 -0.327276
C 0.375983 -4.723570 -1.421430
C 2.632203 -5.534967 -0.548532
H -3.251546 -1.274188 -0.074150
H -3.565116 1.974448 2.340389
H -1.288486 0.286185 1.488766
H -2.671173 -0.482722 2.297064
H -2.786914 2.390674 -1.612467
H -1.495646 2.770528 1.072334
H -2.994553 3.453162 0.402108
H -5.941150 0.569391 2.003248
H -5.864293 -0.802055 0.859909
H -4.720332 -0.713774 2.223127
H -4.640996 2.121318 -1.141779
H -5.769726 0.741742 -1.069113
H -5.916445 2.081781 0.093910
H -0.547551 3.504307 -1.190806
H -0.584625 2.270197 -2.467737
H -2.194201 0.492309 -3.237713
H -2.697492 -1.085856 -2.562242
H -3.831447 0.299612 -2.532824
H 2.660035 3.939932 -0.180435
H 2.869872 -3.018985 0.378119
H 2.326938 -2.771796 -1.278486
H 4.131245 3.056898 0.658122
H 4.281739 -0.179089 1.175448
H 0.986526 -4.773432 0.651482
H 0.796510 -4.506850 -2.423455
H -0.012794 -5.758824 -1.434708
H -0.473774 -4.041612 -1.244432
H 3.143231 -5.331157 -1.509934
H 2.274503 -6.581224 -0.574792
H 3.384682 -5.452636 0.258379


