%chk=000005830.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005830

0 1
 S   0.1559000     -0.4732000       1.028900    
 S   -1.715800      -2.168600     -0.5228000    
 N    2.593200      0.3870000      6.3500002E-02
 N   -2.195700      0.4876000      5.8899999E-02
 C    1.229000      3.5200000E-02 -0.3606000    
 C    3.362600      0.8832000      -1.080900    
 C    3.286700     -0.7609000      0.6570000    
 C   -1.375000     -0.6547000      0.1448000    
 C   -3.479900      0.4806000     -0.6460000    
 C   -1.861100       1.783800      0.6572000    
 H    1.247500     -0.7673000      -1.107600    
 H   0.7596000      0.9108000     -0.8224000    
 H    2.881000       1.767400      -1.513200    
 H    3.468000      0.1279000      -1.868200    
 H    4.364000       1.197100     -0.7659000    
 H    3.314100      -1.622500     -2.0400001E-02
 H    2.831600      -1.072600       1.602100    
 H    4.321000     -0.4938000      0.9049000    
 H   -3.492900       1.316400      -1.352900    
 H   -4.277800      0.6178000      9.0400003E-02
 H   -3.673600     -0.4367000      -1.201500    
 H   -2.780800       2.305000      0.9422000    
 H   -1.327900       2.377700     -9.0899996E-02
 H   -1.247300       1.687200       1.553600    


%chk=000005830-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005830

0 1
S 0.312507 1.354694 -0.709547
S -1.065195 -1.442774 -1.125911
N 2.801881 -0.214457 -0.821337
N -2.141912 0.701902 0.196517
C 1.742168 0.196973 -1.644137
C 3.780125 0.804758 -0.404385
C 2.504701 -1.238576 0.198044
C -1.080510 0.162149 -0.495734
C -3.391629 -0.054152 0.421615
C -2.129787 2.090236 0.710702
H 1.104681 -0.631230 -1.997478
H 2.053924 0.891043 -2.437563
H 4.040561 1.447944 -1.262666
H 4.701025 0.310416 -0.047806
H 3.389716 1.452088 0.413106
H 3.441921 -1.731214 0.512198
H 1.818178 -1.990645 -0.222525
H 2.014116 -0.796731 1.093673
H -4.241787 0.464463 -0.060551
H -3.590795 -0.142315 1.506081
H -3.283401 -1.058708 -0.013686
H -3.021503 2.237243 1.340824
H -2.146989 2.825134 -0.115694
H -1.225597 2.276160 1.316459


