%chk=000162754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162754

0 1
 O  -0.1434000      -1.299000      -1.967600    
 O    5.141600       1.155600     -7.3700003E-02
 O    4.345600      -1.655400       1.276500    
 O   -6.178400      -1.098700       1.590500    
 O    4.709700      -1.556400      -1.013500    
 C    1.696300      0.4646000     -0.1691000    
 C   0.6302000       1.412100      0.4160000    
 C  -0.7346000       1.306700     -0.2792000    
 C   -1.269700     -0.1588000     -0.1038000    
 C    1.199600     -0.9799000      1.5500000E-02
 C    2.889000      0.8490000      0.7408000    
 C  -0.2168000      -1.225900     -0.5493000    
 C    1.346500       2.757500      0.4665000    
 C   -2.733400     -0.3389000     -0.6709000    
 C    2.785100       2.385100      0.8711000    
 C   -1.717300       2.333500      0.3123000    
 C    2.028200      0.7408000      -1.657900    
 C   -3.129100       2.170700     -0.2367000    
 C   -3.604200      0.7539000     -4.0899999E-02
 C   -2.829700     -0.2079000      -2.207500    
 C    4.223000      0.4072000      0.2244000    
 C   -3.256100      -1.725900     -0.3270000    
 C   -4.705000      0.5040000      0.6855000    
 C   -4.350400      -1.981400      0.3968000    
 C   -5.161700     -0.8774000      0.9413000    
 C    4.443900      -1.070500      6.8599999E-02
 C    4.591200      -3.064500       1.291300    
 H   0.4595000       1.126800       1.468500    
 H  -0.6260000       1.532100      -1.344900    
 H   -1.355500     -0.3068000      0.9869000    
 H    1.178700      -1.220100       1.086700    
 H    1.896300      -1.684100     -0.4518000    
 H    2.764600      0.4211000       1.744900    
 H  -0.5382000      -2.213900     -0.2014000    
 H   0.8961000       3.440200       1.194000    
 H    1.335300       3.255700     -0.5092000    
 H    3.496100       2.933000      0.2438000    
 H    2.979300       2.683300       1.908000    
 H   -1.371100       3.350800      9.4599999E-02
 H   -1.741900       2.236800       1.406000    
 H    2.680500     -3.7599999E-02  -2.067700    
 H    1.140100      0.7729000      -2.292300    
 H    2.544300       1.696100      -1.800000    
 H   -3.153300       2.428900      -1.301400    
 H   -3.789700       2.887700      0.2662000    
 H   -2.285400      0.6609000      -2.589900    
 H   -2.441400      -1.090900      -2.726400    
 H   -3.873900     -0.1004000      -2.529900    
 H   -2.713700      -2.581200     -0.7240000    
 H   0.4749000      -2.013300      -2.196800    
 H   -5.293000       1.302500       1.125400    
 H   -4.673600      -2.997400      0.5911000    
 H    3.858400      -3.582800      0.6654000    
 H    4.485700      -3.417700       2.320600    
 H    5.609100      -3.275900      0.9497000    


%chk=000162754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162754

0 1
O -0.309748 -1.315095 -2.074107
O 5.058949 0.974560 -0.641489
O 4.433431 -1.594554 1.495787
O -6.109839 -1.437178 1.654168
O 4.742327 -2.016438 -0.781769
C 1.666353 0.429260 -0.261607
C 0.640450 1.423682 0.367898
C -0.758497 1.355100 -0.282264
C -1.302525 -0.104489 -0.152127
C 1.129043 -1.002965 -0.038117
C 2.943798 0.816575 0.605369
C -0.306870 -1.212758 -0.596255
C 1.394765 2.774230 0.403156
C -2.780031 -0.248849 -0.743425
C 2.874647 2.372820 0.720013
C -1.722601 2.343323 0.424043
C 1.950724 0.714280 -1.761261
C -3.203632 2.186652 -0.018276
C -3.640732 0.737995 0.050367
C -2.880563 0.100752 -2.270702
C 4.230605 0.289588 0.006918
C -3.253883 -1.681847 -0.596882
C -4.703952 0.333574 0.812374
C -4.322852 -2.064366 0.157655
C -5.119362 -1.080252 0.931299
C 4.490992 -1.228087 0.153391
C 4.773803 -3.012359 1.797345
H 0.509995 1.099987 1.428151
H -0.675413 1.630893 -1.351621
H -1.421797 -0.283730 0.941223
H 1.101228 -1.214111 1.050944
H 1.794491 -1.766816 -0.492741
H 2.817165 0.339514 1.597424
H -0.675874 -2.179323 -0.188939
H 0.984937 3.462371 1.162542
H 1.322023 3.286728 -0.574328
H 3.586382 2.835639 0.014951
H 3.173297 2.690032 1.734648
H -1.394894 3.383831 0.240648
H -1.660218 2.171874 1.519125
H 2.637381 -0.046721 -2.178709
H 1.025187 0.681626 -2.355830
H 2.434833 1.695692 -1.903863
H -3.308346 2.562279 -1.055986
H -3.854778 2.813333 0.617605
H -2.494022 1.110356 -2.488554
H -2.293051 -0.617681 -2.860209
H -3.938937 0.063041 -2.584977
H -2.705555 -2.421700 -1.195344
H 0.456097 -1.878669 -2.352581
H -5.299519 1.058531 1.381478
H -4.648394 -3.109655 0.215823
H 4.038080 -3.685769 1.326991
H 4.736422 -3.081910 2.892633
H 5.780779 -3.245995 1.414098


