%chk=000085463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085463

0 1
 O   -3.860800     -0.3550000     -0.4147000    
 O   -5.668900      0.2706000      0.8800000    
 C   0.6798000       1.584900     -0.3152000    
 C  -0.7202000       1.619100      0.3020000    
 C    1.613800       2.588600      0.3705000    
 C   -1.641700      0.5876000     -0.3560000    
 C    3.018000       2.605600     -0.2374000    
 C   -3.052000      0.6250000      0.2199000    
 C    3.783300      -2.233000     -0.3564000    
 C    4.782800      -1.130000     -1.3000000E-03
 C    2.595600      -2.293700      0.6089000    
 C    3.670300       1.292000     -0.1554000    
 C    4.182100      0.2077000     -8.7399997E-02
 C    1.663200      -3.446300      0.2691000    
 C   -5.158300     -0.4260000      1.3500000E-02
 C   -5.887300      -1.497000     -0.7401000    
 H    1.077900      0.5695000     -0.2313000    
 H   0.6142000       1.818500      -1.384900    
 H  -0.6551000       1.415600       1.377700    
 H   -1.148500       2.622000      0.1862000    
 H    1.681200       2.347200       1.439100    
 H    1.186400       3.596000      0.2973000    
 H   -1.227500     -0.4211000     -0.2332000    
 H   -1.690700      0.7606000      -1.438400    
 H    2.960600       2.923000      -1.285100    
 H    3.626300       3.350700      0.2879000    
 H   -3.016800      0.4232000       1.297200    
 H   -3.491000       1.616900      5.9500001E-02
 H    3.413600      -2.082800      -1.378800    
 H    4.309000      -3.195700     -0.3455000    
 H    5.636100      -1.189100     -0.6868000    
 H    5.174600      -1.296600       1.008800    
 H    2.023800      -1.361800      0.5819000    
 H    2.959800      -2.420300       1.635100    
 H    1.256400      -3.336000     -0.7412000    
 H    2.187100      -4.405700      0.3268000    
 H   0.8244000      -3.474700      0.9716000    
 H   -5.412400      -2.464800     -0.5606000    
 H   -5.891200      -1.261600      -1.807300    
 H   -6.922500      -1.546500     -0.3901000    


%chk=000085463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085463

0 1
O -3.996605 -0.282390 -0.473559
O -5.766303 0.213211 0.960687
C 0.612757 1.657418 -0.338703
C -0.782409 1.641941 0.324274
C 1.603745 2.608357 0.365590
C -1.762830 0.676077 -0.381980
C 3.019008 2.613090 -0.282926
C -3.137625 0.676865 0.285619
C 3.907343 -2.309004 -0.344219
C 4.892217 -1.129839 -0.091705
C 2.796445 -2.421103 0.722717
C 3.697002 1.302362 -0.220616
C 4.248543 0.198051 -0.155637
C 1.819578 -3.583699 0.444065
C -5.313181 -0.419568 -0.020157
C -6.065253 -1.417038 -0.875762
H 1.034522 0.632432 -0.338486
H 0.511479 1.954214 -1.403578
H -0.676441 1.351152 1.390207
H -1.203993 2.668953 0.321172
H 1.698001 2.322254 1.431597
H 1.206981 3.643737 0.342854
H -1.351570 -0.351812 -0.368935
H -1.874566 0.963831 -1.445168
H 2.930437 2.931839 -1.341780
H 3.647739 3.374419 0.220551
H -3.092278 0.347533 1.340512
H -3.616717 1.673422 0.258504
H 3.447840 -2.188107 -1.344922
H 4.491211 -3.251596 -0.369431
H 5.711837 -1.173065 -0.836697
H 5.366382 -1.262004 0.902412
H 2.239265 -1.464383 0.764213
H 3.261868 -2.555052 1.720709
H 1.319263 -3.454136 -0.534405
H 2.349857 -4.554788 0.422416
H 1.034010 -3.646423 1.219424
H -5.564359 -2.400050 -0.842544
H -6.069874 -1.087256 -1.929092
H -7.097927 -1.513245 -0.511324


