%chk=000100073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100073

0 1
 O  -0.8994000      -4.885700     -0.1273000    
 O  -0.1031000      -1.072400      -1.914400    
 O   0.4954000      -4.861400       1.696400    
 O   -4.959500       1.573800      0.3651000    
 O   -3.525800       2.918300       1.756600    
 O   0.8547000       2.609100     -0.5413000    
 O    4.710200      0.1678000      0.8061000    
 O    3.560200       2.414300     -0.3241000    
 O   -1.131300      0.6526000      -3.056500    
 C   -1.218600      -2.590700     -0.3247000    
 C   0.1059000      -2.830700      0.3914000    
 C   -1.311200      -1.346000      -1.217100    
 C   0.3506000      -1.883200       1.563200    
 C   -1.361000      -3.905600      -1.069000    
 C   -1.773700     -0.1413000     -0.4061000    
 C  -5.8300000E-02  -4.282900      0.7756000    
 C    1.143100     -0.6810000       1.092200    
 C  -0.9200000      0.6526000      0.4179000    
 C   0.5421000      0.4610000      0.5191000    
 C   -3.159400      0.1414000     -0.4491000    
 C    2.548500     -0.7558000       1.176100    
 C   -1.488100       1.708000       1.172100    
 C    1.385200       1.492500      5.0200000E-02
 C   -3.658100       1.183100      0.3016000    
 C   -2.843800       1.946000       1.093200    
 C    3.356500      0.2780000      0.7093000    
 C    2.774200       1.403000      0.1431000    
 C  -0.1533000     -4.0399998E-02  -2.810500    
 C   -4.868700       2.677200       1.289300    
 C    1.183600      0.1319000      -3.465600    
 C    1.134800       3.857200      8.1100002E-02
 C    5.318800      0.6710000       1.994000    
 C    3.969500       2.338400      -1.687700    
 H   -2.030100      -2.568600      0.4198000    
 H   0.9488000      -2.812600     -0.3139000    
 H   -2.071400      -1.557700      -1.983100    
 H   0.9157000      -2.387100       2.358000    
 H  -0.5840000      -1.568700       2.042400    
 H   -2.402300      -4.117800      -1.329100    
 H  -0.7442000      -3.964500      -1.972400    
 H   -3.832500     -0.4565000      -1.057000    
 H    3.016800      -1.641400       1.602200    
 H  -0.8736000       2.327600       1.820300    
 H   -5.508700       2.465300       2.153500    
 H   -5.235700       3.582700      0.7925000    
 H    1.286800     -0.5887000      -4.280000    
 H    1.985300     -8.6000003E-03  -2.736200    
 H    1.263500       1.148000      -3.861600    
 H    1.926400       4.378200     -0.4647000    
 H    1.407900       3.751300       1.137100    
 H   0.2308000       4.471300      2.6000001E-02
 H    4.948800      0.1320000       2.871900    
 H    5.125400       1.743000       2.101700    
 H    6.398500      0.5164000       1.917700    
 H    4.666300       3.158500      -1.881300    
 H    3.107200       2.450300      -2.351800    
 H    4.479700       1.391300      -1.890400    


%chk=000100073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100073

0 1
O -0.784488 -4.962983 -0.492078
O -0.190921 -0.992955 -1.946500
O 0.616023 -5.037703 1.366379
O -5.029767 1.672810 0.713161
O -3.516423 2.868967 2.144507
O 0.784825 2.412786 -0.691186
O 4.753123 0.122269 1.143839
O 3.598725 2.378821 -0.276706
O -1.423307 0.084773 -3.616037
C -1.288286 -2.614076 -0.465561
C 0.045954 -2.845237 0.281312
C -1.458899 -1.280766 -1.218954
C 0.314194 -2.004258 1.555658
C -1.359335 -3.877694 -1.351651
C -1.862392 -0.122390 -0.306252
C 0.031424 -4.364961 0.505073
C 1.129323 -0.771350 1.193700
C -0.955919 0.589560 0.532624
C 0.532439 0.373716 0.592205
C -3.254137 0.197356 -0.311299
C 2.531192 -0.813311 1.381571
C -1.453225 1.626096 1.385214
C 1.380947 1.409996 0.101941
C -3.703290 1.209389 0.531261
C -2.814702 1.911785 1.368999
C 3.357944 0.243076 0.954815
C 2.791362 1.345207 0.259926
C -0.318536 -0.194858 -3.105142
C -4.905864 2.854715 1.609085
C 1.038367 0.271676 -3.570894
C 0.983658 3.819088 -0.276415
C 5.369970 1.196206 1.958308
C 4.471026 1.940078 -1.394316
H -2.113025 -2.664999 0.273568
H 0.870644 -2.658258 -0.439160
H -2.251820 -1.400368 -1.982770
H 0.876235 -2.633757 2.269123
H -0.647517 -1.737089 2.031451
H -2.379990 -4.192832 -1.617132
H -0.736381 -3.785045 -2.260116
H -3.946176 -0.323725 -0.978966
H 3.001521 -1.672505 1.870422
H -0.770454 2.168826 2.043835
H -5.611693 2.744998 2.446680
H -5.072351 3.773675 1.016823
H 1.809175 -0.491865 -3.380187
H 1.296978 1.177157 -2.988779
H 1.001568 0.531403 -4.639383
H 2.057607 4.061522 -0.219219
H 0.492272 3.997927 0.699175
H 0.488863 4.419391 -1.054994
H 4.965888 1.168447 2.987815
H 5.187748 2.188195 1.507984
H 6.446512 0.968414 1.972587
H 5.044996 2.832550 -1.687001
H 3.854021 1.591910 -2.243672
H 5.149776 1.133999 -1.062875


