%chk=000113603.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113603

0 1
 O  -0.2821000      -1.501500      9.6000001E-02
 O   -2.082000       1.326300     -3.1399999E-02
 O  -0.8327000      -2.979400       1.779900    
 O   -3.206800       1.718800      -2.007300    
 C    1.594900      0.7397000     -0.4424000    
 C    2.225700       2.153700     -0.3337000    
 C    2.718000     -0.1622000      0.1389000    
 C    3.623300       1.866400      0.2647000    
 C   0.2311000      0.8236000      0.2918000    
 C    3.372900      0.6984000       1.216600    
 C    1.303200       2.987700      0.5577000    
 C    3.858700     -0.2248000     -0.9019000    
 C    4.476300       1.180700     -0.8207000    
 C   0.3726000       2.008300       1.260400    
 C  -0.1572000     -0.4551000       1.039000    
 C  -0.8771000       1.135700     -0.7383000    
 C  -0.6289000      -2.731500      0.5994000    
 C   -3.193200       1.616800     -0.7883000    
 C  -0.7190000      -3.732300     -0.5300000    
 C   -4.392800       1.791600      0.1150000    
 C   0.6001000      -3.859000      -1.288000    
 C   -4.702600      0.5229000      0.9056000    
 C    1.732800      -4.284600     -0.3681000    
 C   -5.035200     -0.6402000     -1.4700000E-02
 H    1.430500      0.4682000      -1.493300    
 H    2.317900       2.635300      -1.314400    
 H    2.401400      -1.154900      0.4571000    
 H    4.108200       2.738600      0.7080000    
 H    2.727700      0.9343000       2.061200    
 H    4.299600      0.2616000       1.606800    
 H    1.849500       3.615200       1.268900    
 H   0.7078000       3.660600     -7.1500003E-02
 H    4.601700     -0.9793000     -0.6186000    
 H    3.502200     -0.4628000      -1.909100    
 H    4.439300       1.703800      -1.781400    
 H    5.524800       1.113800     -0.5090000    
 H  -0.5774000       2.489000       1.516600    
 H   0.8098000       1.692600       2.212800    
 H   -1.108000     -0.3254000       1.570900    
 H   0.5982000     -0.7172000       1.789200    
 H  -0.9924000      0.3172000      -1.459600    
 H  -0.6396000       2.046100      -1.302200    
 H   -1.526600      -3.423200      -1.202500    
 H   -1.004400      -4.701400     -0.1047000    
 H   -5.251300       2.072900     -0.5056000    
 H   -4.195000       2.631200      0.7904000    
 H   0.4838000      -4.600700      -2.086500    
 H   0.8626000      -2.909200      -1.767900    
 H   -5.556800      0.7148000       1.564800    
 H   -3.857400      0.2478000       1.546600    
 H    1.937700      -3.537700      0.4039000    
 H    1.502000      -5.234300      0.1253000    
 H    2.652200      -4.421700     -0.9467000    
 H   -5.867900     -0.3916000     -0.6805000    
 H   -4.175900     -0.9290000     -0.6280000    
 H   -5.326600      -1.513900      0.5771000    


%chk=000113603-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113603

0 1
O 0.036934 -1.366960 0.177705
O -1.898797 1.485776 -0.117046
O -1.883527 -2.050109 1.313491
O -2.849203 -0.189834 -1.442452
C 1.893265 1.010359 -0.499315
C 2.529045 2.460097 -0.369232
C 3.027033 0.084825 0.051978
C 3.940621 2.169423 0.234671
C 0.524636 1.054060 0.282296
C 3.677707 0.952397 1.169882
C 1.562646 3.289677 0.526693
C 4.170428 0.070261 -1.010898
C 4.806312 1.506041 -0.879968
C 0.635750 2.276595 1.248042
C 0.194505 -0.205497 1.099090
C -0.575634 1.297904 -0.778993
C -1.075594 -2.200327 0.367499
C -2.966247 0.670779 -0.538239
C -1.188586 -3.232127 -0.741042
C -4.220002 0.992752 0.253895
C 0.147670 -3.874549 -1.185523
C -4.859315 -0.258092 0.926258
C 0.826365 -4.692254 -0.065776
C -5.570219 -1.205266 -0.063215
H 1.698509 0.736604 -1.554349
H 2.647519 2.948180 -1.354781
H 2.687117 -0.924126 0.333826
H 4.408220 3.053398 0.700804
H 3.011519 1.175458 2.019443
H 4.611004 0.509657 1.563890
H 2.110973 3.929005 1.243624
H 0.956368 3.968539 -0.102449
H 4.909621 -0.716010 -0.771826
H 3.785635 -0.134048 -2.026611
H 4.765938 2.076064 -1.825986
H 5.866104 1.446624 -0.571571
H -0.360979 2.694103 1.475187
H 1.080759 1.958789 2.210244
H -0.739721 -0.080639 1.674429
H 1.016631 -0.453412 1.791994
H -0.648716 0.448264 -1.479030
H -0.379150 2.230275 -1.336661
H -1.661790 -2.707001 -1.595404
H -1.901407 -4.000764 -0.393860
H -4.956210 1.440335 -0.443476
H -3.965663 1.754518 1.009491
H -0.059500 -4.531167 -2.052865
H 0.831697 -3.080448 -1.536155
H -5.588969 0.110457 1.673737
H -4.080001 -0.814083 1.479715
H 1.076030 -4.048274 0.797712
H 0.164925 -5.501942 0.295741
H 1.764458 -5.154312 -0.423623
H -6.383585 -0.681848 -0.602146
H -4.861268 -1.593647 -0.813599
H -6.014262 -2.063779 0.473050


