%chk=000156147.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156147

0 1
 O    5.040100     -0.7832000       2.011400    
 O    3.960500     -0.1320000      -1.436500    
 O   -1.123500       1.404100      -1.229900    
 O  -0.7510000      -3.122700     -0.1688000    
 O   -4.948600     -0.8759000      0.6917000    
 O   -6.892600      0.2773000       1.060600    
 C    5.021100     -0.9906000      0.5951000    
 C    4.051500      4.8000000E-02 -2.4700001E-02
 C    4.456100       1.510100      0.2457000    
 C    3.503500       2.548600     -0.3731000    
 C    6.455100     -0.8572000      7.0299998E-02
 C    4.522300      -2.421200      0.3477000    
 C    2.071800       2.449900      0.1076000    
 C   0.9959000       2.312600     -0.6924000    
 C    1.888100       2.549500       1.600800    
 C  -0.4452000       2.239300     -0.2994000    
 C   -1.712100      0.2729000     -0.7287000    
 C  -0.9839000     -0.9306000     -0.6644000    
 C   -3.039300      0.2880000     -0.2739000    
 C   -1.608500      -2.063500     -0.1511000    
 C   -3.611600     -0.8798000      0.2304000    
 C   -2.922200      -2.093000      0.3106000    
 C   0.3313000      -1.339400      -1.011100    
 C   -3.842400       1.500200     -0.3136000    
 C   0.4201000      -2.674200     -0.6910000    
 C   -5.103300       1.491000      0.1250000    
 C   -5.733300      0.2717000      0.6617000    
 H    3.051500     -0.1130000      0.3955000    
 H    5.442800       1.704000     -0.1915000    
 H    4.546700       1.683900       1.324100    
 H    3.539900       2.466200      -1.466600    
 H    3.879600       3.551900     -0.1354000    
 H    6.501900     -0.9457000      -1.019600    
 H    7.095700      -1.634500      0.5037000    
 H    6.905500      9.4899997E-02  0.3688000    
 H    4.558000      -2.694800     -0.7112000    
 H    5.128000      -3.143700      0.9073000    
 H    3.493600      -2.543000      0.7051000    
 H    4.131700     -0.8880000       2.342700    
 H    3.511400     -0.9774000      -1.601800    
 H    1.181900       2.281900      -1.765700    
 H    2.586200       3.284300       2.018000    
 H    2.084100       1.583400       2.076500    
 H   0.8915000       2.886200       1.897800    
 H  -0.5865000       1.879400      0.7253000    
 H  -0.8877000       3.238100     -0.3755000    
 H   -3.374000      -2.995300      0.7037000    
 H    1.114800     -0.7375000      -1.447000    
 H   -3.416700       2.416400     -0.7064000    
 H    1.207300      -3.409500     -0.7711000    
 H   -5.705700       2.392400      9.5100001E-02


%chk=000156147-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156147

0 1
O 3.412964 -0.722079 2.478974
O 3.673858 -0.430601 -1.283359
O -1.198313 1.577393 -1.885112
O 0.283232 -2.915445 -1.400074
O -2.956897 -1.185417 1.801334
O -4.520863 -0.381985 3.296942
C 3.864610 -1.148089 1.119981
C 3.381938 -0.047959 0.115672
C 4.037599 1.320242 0.348497
C 3.377765 2.454051 -0.480995
C 5.393459 -1.237079 1.211508
C 3.242946 -2.515725 0.775664
C 1.881645 2.632166 -0.235514
C 1.018583 2.570979 -1.294964
C 1.476866 2.912411 1.200404
C -0.468225 2.765785 -1.277261
C -1.219966 0.388852 -1.143732
C -0.439572 -0.715924 -1.549232
C -2.097975 0.234090 -0.025629
C -0.551198 -1.941857 -0.819783
C -2.128615 -1.016926 0.686082
C -1.357575 -2.133780 0.306683
C 0.509200 -0.961172 -2.624076
C -3.021079 1.265919 0.397521
C 0.911781 -2.274939 -2.506592
C -3.849775 1.093909 1.482942
C -3.849544 -0.130717 2.280533
H 2.278519 0.047272 0.246026
H 5.101128 1.254887 0.053459
H 4.009623 1.544173 1.430459
H 3.552994 2.250134 -1.552225
H 3.897822 3.403864 -0.235224
H 5.825773 -1.348621 0.201649
H 5.689019 -2.102414 1.829356
H 5.806723 -0.328746 1.680174
H 3.660410 -2.917273 -0.164145
H 3.459795 -3.237547 1.582711
H 2.142806 -2.448548 0.657856
H 2.444731 -0.921891 2.565945
H 2.912175 -0.956386 -1.639499
H 1.439149 2.378142 -2.292312
H 1.935417 3.858715 1.548764
H 1.853148 2.119372 1.873862
H 0.387457 2.993314 1.347432
H -0.863939 2.953688 -0.262934
H -0.786653 3.580428 -1.950138
H -1.419099 -3.076245 0.852809
H 0.814650 -0.254743 -3.391986
H -3.076030 2.185115 -0.194377
H 1.568211 -2.915077 -3.090410
H -4.559276 1.862784 1.798135


