%chk=000146634.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146634

0 1
 O    4.025500       2.400700     -0.1395000    
 O    4.062200      -2.372600     -0.1438000    
 O   -6.564300      1.2400000E-02  0.3410000    
 C  -0.1454000     -1.8999999E-02  0.6542000    
 C   -1.005900     -2.4800001E-02 -0.6251000    
 C    1.337500     -7.4000000E-03  0.3728000    
 C   -2.474900     -1.4900000E-02 -0.3695000    
 C    2.014300      -1.209900      0.2451000    
 C    1.995600       1.205800      0.2470000    
 C    3.366100       1.216700     -1.3100000E-02
 C    3.384800      -1.199200     -1.5100000E-02
 C   -3.168400      -1.218100     -0.2403000    
 C   -3.155500       1.197800     -0.2598000    
 C    4.060700      1.4100000E-02 -0.1441000    
 C   -4.542700      -1.208800     -1.5000000E-03
 C   -4.529800       1.207200     -2.0900000E-02
 C   -5.223400      3.8000001E-03  0.1083000    
 C    3.254200       3.592300      5.5000000E-03
 C    3.309400      -3.576200     -1.1000000E-03
 H  -0.3929000     -0.8920000       1.273200    
 H  -0.4049000      0.8502000       1.273700    
 H  -0.7484000     -0.9006000      -1.236500    
 H  -0.7407000      0.8391000      -1.250000    
 H    1.436600      -2.121500      0.3522000    
 H    1.403900       2.108200      0.3557000    
 H   -2.649100      -2.169400     -0.3217000    
 H   -2.626000       2.142000     -0.3565000    
 H    5.128600      2.2600001E-02 -0.3471000    
 H   -5.071300      -2.153100      9.7599998E-02
 H   -5.054400       2.155000      6.4000003E-02
 H    2.829700       3.677200       1.011600    
 H    2.491300       3.675600     -0.7760000    
 H    3.938000       4.437500     -0.1247000    
 H    4.006200      -4.410500     -0.1331000    
 H    2.547800      -3.669700     -0.7827000    
 H    2.886500      -3.669700       1.004900    
 H   -6.879400     -0.9058000      0.4023000    


%chk=000146634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146634

0 1
O 4.133209 2.387017 -0.150436
O 4.168245 -2.357510 -0.146334
O -6.721426 0.054827 0.398568
C -0.222308 -0.015994 0.663697
C -1.045344 -0.018466 -0.667115
C 1.279408 -0.005854 0.415800
C -2.545674 -0.021024 -0.420186
C 1.983033 -1.227159 0.279845
C 1.965107 1.225391 0.278008
C 3.356658 1.225120 0.001015
C 3.374513 -1.206780 0.002973
C -3.263834 -1.235661 -0.286236
C -3.266106 1.194137 -0.272295
C 4.066390 0.014149 -0.138472
C -4.649830 -1.246804 -0.014233
C -4.648843 1.205681 -0.000582
C -5.340792 -0.020036 0.129980
C 3.457078 3.676752 -0.011947
C 3.511438 -3.656603 -0.004415
H -0.509825 -0.907182 1.253661
H -0.520964 0.869473 1.256671
H -0.748236 -0.905283 -1.258654
H -0.752762 0.870241 -1.258041
H 1.442872 -2.171796 0.397275
H 1.411251 2.162185 0.394102
H -2.735080 -2.189855 -0.403088
H -2.736721 2.149280 -0.378917
H 5.138629 0.021840 -0.347371
H -5.186363 -2.200439 0.079140
H -5.205034 2.141547 0.107549
H 3.017715 3.797995 0.997919
H 2.664321 3.803134 -0.775687
H 4.242808 4.430706 -0.166401
H 4.308222 -4.399275 -0.157004
H 2.720497 -3.796820 -0.767687
H 3.073995 -3.781717 1.005856
H -7.114747 -0.850218 0.470041


