%chk=000113450.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113450

0 1
 O   0.5627000      -1.353100      0.8465000    
 O  -0.1233000      0.7983000      0.1230000    
 C  -0.5475000     -0.4719000      0.6256000    
 C   -1.514100      -1.156200     -0.3568000    
 C   -2.937300     -0.6549000     -0.2591000    
 C    1.266500      -1.650000     -0.3522000    
 C   0.7730000       1.473000      0.9953000    
 C   -3.333100      0.4161000      -1.042500    
 C   -3.816000      -1.277400      0.6116000    
 C    2.406500      -2.570000     -4.6399999E-02
 C    1.162200       2.786100      0.3922000    
 C   -4.646100      0.8783000     -0.9526000    
 C   -5.129000     -0.8154000      0.7015000    
 C    3.717700      -2.376800     -0.2831000    
 C    2.397700       3.231300      9.5299996E-02
 C   -5.544100      0.2625000     -8.0499999E-02
 C    4.318600      -1.154500     -0.9176000    
 C    4.722300      -3.433200      9.5799997E-02
 C    3.674700       2.470000      0.3125000    
 C    2.588400       4.597900     -0.5085000    
 H   -1.036300     -0.3235000       1.595900    
 H   -1.178700      -1.010000      -1.392300    
 H   -1.523700      -2.242100     -0.1907000    
 H   0.6287000      -2.192300      -1.057200    
 H    1.593400     -0.7284000     -0.8367000    
 H   0.2630000       1.668200       1.946200    
 H    1.637700      0.8422000       1.207400    
 H   -2.640700      0.9033000      -1.722900    
 H   -3.501000      -2.115700       1.226300    
 H    2.106200      -3.508400      0.4190000    
 H   0.3198000       3.445400      0.1853000    
 H   -4.969200       1.717900      -1.561000    
 H   -5.828000      -1.294300       1.380900    
 H   -6.566300      0.6226000     -1.0400000E-02
 H    4.872500      -1.435000      -1.820000    
 H    3.585300     -0.4021000      -1.211800    
 H    5.016500     -0.6763000     -0.2221000    
 H    5.264300      -3.776200     -0.7916000    
 H    5.446000      -3.028400      0.8109000    
 H    4.254400      -4.309000      0.5577000    
 H    4.346700       3.043100      0.9602000    
 H    3.534900       1.493900      0.7793000    
 H    4.180000       2.305500     -0.6452000    
 H    3.213200       5.216700      0.1440000    
 H    3.078700       4.515800      -1.484100    
 H    1.640400       5.125500     -0.6574000    


%chk=000113450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113450

0 1
O 0.556680 -1.650420 0.865633
O -0.107198 0.524880 0.048636
C -0.563699 -0.739462 0.614419
C -1.622632 -1.307775 -0.355802
C -2.971517 -0.608572 -0.253424
C 1.324112 -2.032844 -0.355260
C 0.736494 1.311171 0.996119
C -3.138207 0.729807 -0.698539
C -4.090346 -1.284504 0.297600
C 2.611472 -2.657352 0.109002
C 1.045388 2.630592 0.347144
C -4.392761 1.370463 -0.596545
C -5.346974 -0.644314 0.403246
C 3.877784 -2.334718 -0.282324
C 2.277753 3.155657 0.087070
C -5.502667 0.686862 -0.045470
C 4.227172 -1.244463 -1.280988
C 5.074931 -3.089459 0.273783
C 3.597645 2.472063 0.399655
C 2.413364 4.526003 -0.556865
H -0.983039 -0.587367 1.630014
H -1.221320 -1.223644 -1.383461
H -1.737902 -2.382053 -0.122464
H 0.721761 -2.766463 -0.933309
H 1.479720 -1.136374 -0.983023
H 0.149445 1.458563 1.929844
H 1.638984 0.726157 1.247891
H -2.273808 1.260977 -1.110475
H -3.977165 -2.319742 0.643577
H 2.478837 -3.464950 0.843013
H 0.157696 3.216255 0.067845
H -4.506676 2.402930 -0.947190
H -6.200444 -1.183535 0.830213
H -6.475896 1.185062 0.031262
H 4.658117 -1.683068 -2.203129
H 3.362396 -0.627527 -1.575153
H 5.001123 -0.572090 -0.860808
H 5.662913 -3.559288 -0.539786
H 5.763004 -2.400692 0.803361
H 4.770556 -3.881171 0.979580
H 4.158121 3.038881 1.169618
H 3.479122 1.438062 0.761356
H 4.238900 2.448153 -0.503627
H 2.999989 5.211911 0.086304
H 2.955572 4.455573 -1.520796
H 1.430802 4.990326 -0.748050


