%chk=000077281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077281

0 1
 S   2.7200000E-02  1.8000000E-03  -2.582300    
 C  -6.1600000E-02  1.5300000E-02 -0.6060000    
 C   -1.480400      0.2251000     -0.1968000    
 C   0.5469000      -1.391000     -0.1863000    
 C   0.9363000       1.172000     -0.1736000    
 C   -1.972900     -0.3912000      0.9537000    
 C  -7.1500003E-02  -2.483800     -0.6794000    
 C   0.6296000       1.838400      0.9590000    
 C   -2.314800       1.038100     -0.9640000    
 C    1.625400      -1.360900      0.6234000    
 C    1.999100       1.381500     -0.9784000    
 C   -3.299700     -0.1949000       1.336600    
 C   0.4627000      -3.718600     -0.3113000    
 C    1.506300       2.854600       1.339100    
 C   -3.641600       1.234400     -0.5809000    
 C    2.159700      -2.595900      0.9914000    
 C    2.875800       2.397600     -0.5981000    
 C   -4.134000      0.6179000      0.5694000    
 C    1.578300      -3.774600      0.5240000    
 C    2.629200       3.134100      0.5606000    
 H   -1.348700      -1.009800       1.591600    
 H  -0.9537000      -2.462200      -1.307200    
 H  -0.2223000       1.634200       1.593100    
 H   -1.972000       1.584900      -1.836200    
 H    2.109300     -0.4942000       1.047400    
 H    2.294500      0.7968000      -1.838200    
 H  -0.9914000     -0.8460000      -2.784900    
 H   -3.681600     -0.6692000       2.235900    
 H   6.2000002E-03  -4.636600     -0.6696000    
 H    1.317700       3.424700       2.244100    
 H   -4.288400       1.877400      -1.170700    
 H    3.024100      -2.641100       1.647800    
 H    3.761300       2.603200      -1.192700    
 H   -5.165800      0.7745000      0.8701000    
 H    1.992400      -4.736100      0.8133000    
 H    3.315000       3.921400      0.8597000    


%chk=000077281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077281

0 1
S 0.089833 0.055655 -2.667231
C -0.002227 -0.010322 -0.693385
C -1.468271 0.181658 -0.247651
C 0.564177 -1.380202 -0.260808
C 0.882275 1.177306 -0.248847
C -1.956445 -0.463212 0.919322
C -0.137851 -2.568977 -0.606807
C 0.474582 2.042709 0.797759
C -2.325944 1.090392 -0.921283
C 1.756446 -1.507971 0.493986
C 2.153230 1.396825 -0.847397
C -3.270145 -0.225217 1.385041
C 0.345371 -3.838320 -0.234422
C 1.307465 3.101275 1.228082
C -3.636917 1.330280 -0.457120
C 2.242848 -2.781695 0.873343
C 2.981414 2.457736 -0.424251
C -4.118951 0.670190 0.697687
C 1.545919 -3.952627 0.507812
C 2.562798 3.316889 0.618553
H -1.309256 -1.155425 1.467132
H -1.081033 -2.498212 -1.162390
H -0.497447 1.897617 1.278080
H -1.957589 1.598274 -1.818350
H 2.308720 -0.613431 0.794971
H 2.488098 0.734663 -1.653519
H -0.702319 -1.061940 -2.871073
H -3.625691 -0.739645 2.285029
H -0.213479 -4.737186 -0.518190
H 0.969232 3.758555 2.037097
H -4.282822 2.031341 -0.997907
H 3.167288 -2.853073 1.457565
H 3.952413 2.612120 -0.908076
H -5.138849 0.852033 1.054827
H 1.925560 -4.938474 0.798478
H 3.204168 4.142210 0.947542


