%chk=000077652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077652

0 1
 S   0.6637000       1.834400      0.8083000    
 S  -0.5239000       1.768200     -0.8701000    
 C    2.953500      0.5620000     -0.1430000    
 C   -2.162700     -0.4842000     -0.9608000    
 C    1.743200      0.4340000      0.5387000    
 C   -1.862900      0.7235000     -0.3247000    
 C    3.768100     -0.5543000     -0.3332000    
 C   -3.218300      -1.273700     -0.5043000    
 C    1.347700     -0.8102000       1.030100    
 C   -2.626200       1.136100      0.7705000    
 C    3.421300       1.873300     -0.6893000    
 C   -1.379000     -0.9726000      -2.137100    
 C    3.372400      -1.798400      0.1583000    
 C   -3.977700     -0.8582000      0.5896000    
 C    2.162400      -1.926300      0.8399000    
 C   -3.681600      0.3465000       1.226900    
 H    4.714100     -0.4750000     -0.8624000    
 H   -3.464500      -2.215400     -0.9876000    
 H   0.4093000     -0.9332000       1.565500    
 H   -2.427300       2.076000       1.280100    
 H    2.743400       2.232700      -1.469900    
 H    3.497900       2.621800      0.1063000    
 H    4.416100       1.792500      -1.142100    
 H   -1.447400     -0.2637000      -2.968800    
 H  -0.3284000      -1.123100      -1.867900    
 H   -1.754200      -1.934000      -2.505600    
 H    4.006400      -2.667700      9.9999998E-03
 H   -4.800000      -1.472500      0.9447000    
 H    1.854300      -2.895000       1.222300    
 H   -4.274900      0.6710000       2.076800    


%chk=000077652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077652

0 1
S 0.851132 1.806331 1.233652
S -0.623034 2.110323 -0.555697
C 2.843171 0.446959 -0.292983
C -1.982877 -0.370914 -0.858935
C 1.834098 0.347046 0.713560
C -1.942358 0.886611 -0.183038
C 3.598834 -0.718371 -0.579969
C -3.066815 -1.237974 -0.560932
C 1.597705 -0.874316 1.394449
C -2.947149 1.248299 0.749186
C 3.092702 1.735503 -1.047903
C -0.931090 -0.786605 -1.870593
C 3.374030 -1.936080 0.103743
C -4.068356 -0.882899 0.370688
C 2.372216 -2.017077 1.097500
C -4.011315 0.366171 1.031046
H 4.379353 -0.664815 -1.348261
H -3.120712 -2.207329 -1.070506
H 0.805907 -0.915450 2.149285
H -2.882986 2.221756 1.245849
H 2.223140 1.993600 -1.681692
H 3.233417 2.583352 -0.353731
H 3.981880 1.652299 -1.695511
H -0.930820 -0.115608 -2.749072
H 0.082788 -0.740259 -1.436966
H -1.113277 -1.816116 -2.223258
H 3.979316 -2.816594 -0.139818
H -4.889753 -1.577958 0.578519
H 2.190547 -2.956453 1.630511
H -4.784894 0.651067 1.752077


