%chk=000076515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076515

0 1
 S   5.5700000E-02 -0.1283000       2.447600    
 P  -1.9800000E-02 -6.7500003E-02  0.5097000    
 C   -1.164300      -1.217200     -0.2557000    
 C    1.527900     -0.3979000     -0.3349000    
 C  -0.5245000       1.523100     -0.1827000    
 C   -2.625500     -0.9256000      5.9400000E-02
 C    2.180000      -1.711500      7.5800002E-02
 C   0.4788000       2.642300      6.2700003E-02
 C   -3.566500      -1.958600     -0.5598000    
 C    3.523500      -1.930800     -0.6188000    
 C  -8.0000004E-03   3.983700     -0.4843000    
 C   -5.021300      -1.637800     -0.2540000    
 C    4.147600      -3.257300     -0.2142000    
 C    1.016400       5.083200     -0.2507000    
 H   -1.019600      -1.190800      -1.342100    
 H  -0.9144000      -2.233200      7.0200004E-02
 H    1.360300     -0.3863000      -1.417900    
 H    2.233700      0.4093000     -0.1138000    
 H  -0.6769000       1.402600      -1.261500    
 H   -1.491100       1.804400      0.2497000    
 H   -2.773200     -0.9035000       1.144800    
 H   -2.892600      6.8999998E-02 -0.3133000    
 H    2.334500      -1.730600       1.160000    
 H    1.504000      -2.541700     -0.1583000    
 H   0.6764000       2.735500       1.136300    
 H    1.433500       2.397400     -0.4127000    
 H   -3.425100      -1.986900      -1.646500    
 H   -3.328400      -2.957000     -0.1748000    
 H    3.386800      -1.914600      -1.706300    
 H    4.211700      -1.116100     -0.3653000    
 H  -0.2053000       3.898100      -1.559200    
 H  -0.9521000       4.261900     -1.7000000E-03
 H   -5.677700      -2.388900     -0.7047000    
 H   -5.203000      -1.631400      0.8254000    
 H   -5.300100     -0.6584000     -0.6556000    
 H    5.107300      -3.395000     -0.7221000    
 H    4.326100      -3.293900      0.8652000    
 H    3.497200      -4.095500     -0.4839000    
 H   0.6483000       6.034400     -0.6477000    
 H    1.214000       5.214700      0.8179000    
 H    1.962800       4.850500     -0.7495000    


%chk=000076515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076515

0 1
S 0.039117 0.013999 2.260679
P 0.006960 0.013241 0.147534
C -1.275216 -1.177738 -0.577098
C 1.661856 -0.495146 -0.621604
C -0.399780 1.711899 -0.584991
C -2.690987 -0.960888 -0.006205
C 2.200189 -1.823906 -0.054223
C 0.505142 2.833238 -0.035694
C -3.678135 -2.061472 -0.462807
C 3.639496 -2.128168 -0.534363
C 0.028768 4.237200 -0.478359
C -5.101699 -1.841122 0.092834
C 4.173332 -3.464330 0.025529
C 0.938675 5.362878 0.059048
H -1.255874 -1.061962 -1.679013
H -0.917731 -2.194940 -0.331162
H 1.520340 -0.544872 -1.719388
H 2.367795 0.327325 -0.401509
H -0.328736 1.630305 -1.687770
H -1.455159 1.911377 -0.321254
H -2.629569 -0.946307 1.100152
H -3.081920 0.029184 -0.317196
H 2.176756 -1.771489 1.052565
H 1.535666 -2.662083 -0.347410
H 0.514376 2.771210 1.070854
H 1.550646 2.680322 -0.372602
H -3.712056 -2.095858 -1.571167
H -3.298030 -3.048371 -0.129435
H 3.667395 -2.151440 -1.643160
H 4.307805 -1.300890 -0.220265
H -0.010288 4.286714 -1.585942
H -1.008493 4.395821 -0.119883
H -5.789851 -2.642770 -0.232163
H -5.095741 -1.826491 1.198539
H -5.518842 -0.876607 -0.253182
H 5.207516 -3.658682 -0.312786
H 4.173458 -3.456362 1.131327
H 3.544765 -4.313212 -0.303591
H 0.576628 6.358724 -0.255633
H 0.973596 5.348077 1.164296
H 1.974930 5.247396 -0.310798


