%chk=000168679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168679

0 1
 S   0.9073000       1.305800      -1.319000    
 S    3.105200      -2.266600      0.2474000    
 S    4.425200      0.9178000      0.6438000    
 C    2.157200     -0.6951000      0.2835000    
 C    1.970500     -0.1653000      -1.150300    
 C    2.797700      0.3368000       1.225800    
 C  -0.6375000      0.6956000     -0.6571000    
 C   -3.043200     -0.2537000      0.3731000    
 C   -1.205800       1.312900      0.4535000    
 C   -1.264400     -0.3933000      -1.256000    
 C   -2.411200      0.8371000      0.9698000    
 C   -2.469800     -0.8690000     -0.7398000    
 C   -4.331300     -0.7630000      0.9254000    
 H    1.181900     -0.9696000      0.7002000    
 H    2.929900      8.0100000E-02  -1.618100    
 H    1.535000     -0.9512000      -1.779100    
 H    2.928500     -9.1300003E-02   2.226200    
 H    2.151500       1.211700       1.346400    
 H  -0.7265000       2.163500      0.9314000    
 H  -0.8419000     -0.8823000      -2.129800    
 H   -2.848600       1.325800       1.836300    
 H   -2.954600      -1.717300      -1.215600    
 H    4.238600      -1.751000     -0.2509000    
 H   -4.431900      -1.841500      0.7631000    
 H   -4.392000     -0.5951000       2.006200    
 H   -5.173200     -0.2557000      0.4440000    
 H    4.661400       1.753600       1.665600    


%chk=000168679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168679

0 1
S 0.838160 1.397778 -1.224261
S 3.208367 -2.084941 0.599383
S 4.797552 1.103539 0.466146
C 2.314605 -0.397726 0.465004
C 1.992344 -0.108625 -1.006631
C 3.081149 0.724333 1.185469
C -0.746162 0.676406 -0.603025
C -3.238878 -0.356009 0.329895
C -1.339155 1.200498 0.568563
C -1.398332 -0.359270 -1.313398
C -2.576843 0.689003 1.023258
C -2.625250 -0.873688 -0.841946
C -4.579213 -0.888017 0.806076
H 1.373427 -0.583841 1.017209
H 2.904317 0.154672 -1.571499
H 1.503859 -0.975469 -1.477652
H 3.204115 0.492380 2.254147
H 2.526708 1.672752 1.077379
H -0.835411 2.001954 1.119331
H -0.954800 -0.751735 -2.235301
H -3.028033 1.104212 1.932602
H -3.118593 -1.679983 -1.398423
H 4.304711 -1.686702 -0.155588
H -4.664429 -1.977285 0.644132
H -4.736451 -0.688761 1.880246
H -5.412895 -0.409819 0.255937
H 5.463132 0.084042 1.128946


