%chk=000161721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161721

0 1
 O   -4.172400       1.080600     -0.8085000    
 O   -4.265800      -1.073700      -1.637500    
 O    6.149700     -0.2897000     -0.9777000    
 O    4.704800       1.485800      -1.195600    
 C  -0.8315000     -0.4277000      6.3299999E-02
 C   -2.075800      7.3399998E-02  0.9000000    
 C   -3.424300     -0.6513000      0.5883000    
 C   0.4653000      0.2269000      0.6951000    
 C  -0.7551000      -1.973600      0.1790000    
 C   -2.165500       1.616900      0.9168000    
 C   -3.230100      -2.181500      0.6512000    
 C   -2.057000      -2.683500     -0.1809000    
 C  -0.9249000     -4.9899999E-02  -1.437900    
 C  -0.8798000       2.253000       1.448500    
 C   0.3334000       1.749000      0.7090000    
 C    1.788500     -0.2849000      9.9500000E-02
 C   -4.515000     -0.2759000       1.613100    
 C   -4.001400     -0.2709000     -0.7527000    
 C    2.974000      0.2056000      0.9168000    
 C    1.179100       2.614500      0.1263000    
 C    4.262700     -0.2870000      0.3491000    
 C   -4.716100       1.581600      -2.033900    
 C    4.952000      -1.389600      0.6303000    
 C    5.024200      0.4264000     -0.6842000    
 C    6.181300      -1.474600     -0.1772000    
 H   -1.852600     -0.2079000       1.943200    
 H   0.4825000     -7.9400003E-02   1.753200    
 H  -0.4791000      -2.250500       1.205000    
 H   2.7300000E-02  -2.374600     -0.4753000    
 H   -2.991200       1.961400       1.546400    
 H   -2.315600       2.031000     -8.2999997E-02
 H   -4.140400      -2.707500      0.3354000    
 H   -3.057700      -2.479200       1.694800    
 H   -1.933000      -3.758800     -2.4999999E-03
 H   -2.263700      -2.583300      -1.250700    
 H  -4.1299999E-02 -0.3965000      -1.984500    
 H   -1.776000     -0.5067000      -1.942300    
 H  -0.9965000       1.029600      -1.596800    
 H  -0.7667000       2.015200       2.513900    
 H  -0.9685000       3.344200       1.382700    
 H    1.896400      2.4900001E-02 -0.9467000    
 H    1.810300      -1.379700      0.1023000    
 H   -4.805100      0.7788000       1.577400    
 H   -5.431600     -0.8531000       1.437100    
 H   -4.182900     -0.4919000       2.635000    
 H    2.877600     -0.1890000       1.938000    
 H    3.050300       1.285200       1.044900    
 H    2.022600       2.317500     -0.4824000    
 H    1.004800       3.684500      0.1921000    
 H   -4.046700       1.348000      -2.867300    
 H   -4.803300       2.667800      -1.947600    
 H   -5.711400       1.161200      -2.206600    
 H    4.653500      -2.131800       1.356500    
 H    7.082300      -1.467600      0.4424000    
 H    6.185100      -2.351500     -0.8304000    


%chk=000161721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161721

0 1
O -4.290048 1.104134 -0.983943
O -4.342535 -1.094100 -1.702940
O 6.087422 -0.196901 -1.156323
O 4.352157 1.367650 -1.312808
C -0.843504 -0.404048 0.068813
C -2.080048 0.118174 0.910190
C -3.463979 -0.583972 0.581438
C 0.470850 0.219179 0.730853
C -0.784322 -1.957548 0.209249
C -2.135331 1.663827 0.982033
C -3.282307 -2.125365 0.697802
C -2.109152 -2.667696 -0.139165
C -0.908703 -0.002712 -1.428021
C -0.822331 2.242374 1.568786
C 0.376256 1.748544 0.777611
C 1.794259 -0.303457 0.117054
C -4.542291 -0.143124 1.621784
C -4.042809 -0.263302 -0.811625
C 3.009714 -0.078916 1.065098
C 1.220637 2.610526 0.150201
C 4.318855 -0.427685 0.410516
C -4.881803 1.486569 -2.288923
C 5.212275 -1.420249 0.681677
C 4.840432 0.372195 -0.746527
C 6.380535 -1.352679 -0.275333
H -1.878647 -0.230199 1.952599
H 0.440602 -0.131724 1.791442
H -0.504631 -2.205264 1.256979
H 0.013685 -2.365021 -0.439744
H -2.982823 1.982228 1.615358
H -2.315283 2.092659 -0.017969
H -4.221802 -2.625893 0.399284
H -3.108582 -2.358029 1.769097
H -1.999050 -3.754576 0.044247
H -2.343230 -2.552988 -1.212654
H -0.009452 -0.366242 -1.958366
H -1.781205 -0.441039 -1.940679
H -0.942864 1.092788 -1.555002
H -0.732423 1.915359 2.627773
H -0.862348 3.347350 1.568680
H 1.992121 0.192645 -0.849744
H 1.721625 -1.386296 -0.086887
H -4.835758 0.910864 1.496949
H -5.449554 -0.766517 1.515880
H -4.149279 -0.285174 2.645858
H 2.875393 -0.682266 1.982660
H 3.027152 0.985406 1.367274
H 2.082824 2.291859 -0.446136
H 1.060509 3.693726 0.224677
H -4.204789 1.203850 -3.112732
H -5.003306 2.577498 -2.231653
H -5.852420 0.982655 -2.431761
H 5.134199 -2.174865 1.467716
H 7.347658 -1.162346 0.226001
H 6.477152 -2.251667 -0.912245


