%chk=000037979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037979

0 1
 S    3.082900     -0.8976000      -1.145100    
 S    3.862300      0.2276000       1.493600    
 O  -0.1032000      -1.612400       1.570300    
 N    2.069800       1.445400     -0.2134000    
 N   0.4649000      -1.370300     -0.6676000    
 N   -4.012200      0.8358000     -0.2669000    
 C    1.761000      -2.014200     -0.6010000    
 C   -1.637900     -0.5054000      0.1898000    
 C  -0.3626000      -1.223900      0.4346000    
 C    2.941100      0.3786000      8.4299996E-02
 C    1.366100       2.193600      0.8308000    
 C    1.790500       1.925400      -1.570000    
 C   -2.234500      0.1690000       1.229700    
 C   -2.187900     -0.5320000      -1.070600    
 C   -3.422400      0.8249000      0.9495000    
 C   -3.377900      0.1554000      -1.247900    
 H    1.729300      -2.870600      -1.280500    
 H    1.965100      -2.382000      0.4084000    
 H   0.2167000     -0.9681000      -1.564300    
 H   0.3207000       2.322700      0.5347000    
 H    1.840600       3.173200      0.9379000    
 H    1.389600       1.669100       1.788600    
 H    2.512800       1.538400      -2.291600    
 H    1.848600       3.018200      -1.580700    
 H   0.7820000       1.609300      -1.851400    
 H   -1.813000      0.2063000       2.227600    
 H   -1.771400      -1.076700      -1.908800    
 H   -3.946800       1.378300       1.721600    
 H   -3.872500      0.1703000      -2.213600    


%chk=000037979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037979

0 1
S 1.310635 1.401136 1.536321
S 2.349317 -0.810160 -0.442916
O -2.404712 0.206680 2.037312
N 3.276966 1.765358 -0.269767
N -0.526126 -0.678789 0.985708
N -4.396767 -1.536425 -2.336806
C 0.399306 -0.238832 1.986658
C -2.702937 -0.796090 -0.157266
C -1.881112 -0.374276 1.036990
C 2.416598 0.798358 0.179783
C 4.193871 1.524624 -1.405438
C 3.336201 3.115816 0.338241
C -4.113273 -0.781541 -0.024880
C -2.156189 -1.177072 -1.409686
C -4.910726 -1.158737 -1.126012
C -3.035766 -1.534141 -2.456924
H 1.201024 -0.975880 2.135923
H -0.130207 0.017026 2.916296
H -0.092074 -1.117932 0.165621
H 4.077299 2.331315 -2.151424
H 3.953127 0.555366 -1.866071
H 5.242015 1.503834 -1.053016
H 3.453001 3.047628 1.434293
H 2.419362 3.693870 0.118222
H 4.203780 3.651196 -0.076930
H -4.555629 -0.471799 0.926490
H -1.077668 -1.180982 -1.603950
H -6.003679 -1.162499 -1.051880
H -2.643933 -1.828754 -3.436894


