%chk=000096281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096281

0 1
 S   -2.210100      0.5192000     -7.7100001E-02
 S    3.817000     -0.6460000      0.3810000    
 O   -2.310600      0.9507000      -1.633100    
 O   -2.707200       1.515300      0.8354000    
 N   -2.912600     -0.9136000     -6.3800000E-02
 N    1.303300      -1.356300      0.1982000    
 N    1.720000       1.005200      0.3275000    
 N  -0.8485000      -2.144500      7.1000002E-02
 N   4.0899999E-02   2.658900      0.2816000    
 C  -0.5307000      0.2640000      0.1102000    
 C  -4.4399999E-02  -1.134300      0.1248000    
 C   0.4726000       1.361700      0.2467000    
 C    2.084700     -0.3238000      0.2898000    
 C   -2.211300      -2.000700      2.4000001E-03
 C    4.336800      0.2442000      -1.094500    
 H   -2.771400      -2.950400      3.5000001E-03
 H  -0.9396000       2.909400      0.2177000    
 H   0.7018000       3.422900      0.3746000    
 H   -2.013400      0.2742000      -2.286000    
 H    4.167000       1.318200     -0.9805000    
 H    3.792300     -0.1158000      -1.972000    
 H    5.405200      8.0499999E-02  -1.258500    


%chk=000096281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096281

0 1
S -2.234759 0.460661 -0.101159
S 3.821104 -1.050018 -0.470140
O -2.506967 0.683213 -1.950206
O -2.688602 1.873239 0.579946
N -3.115762 -1.011683 0.392005
N 1.238156 -1.578156 -0.095008
N 1.819620 0.801608 -0.234516
N -0.969300 -2.337675 0.230423
N 0.180712 2.473524 -0.079952
C -0.484325 0.106381 -0.060167
C -0.093721 -1.280244 0.012947
C 0.503275 1.149330 -0.128902
C 2.101729 -0.539054 -0.247053
C -2.276672 -2.125773 0.418341
C 4.674440 0.616174 -0.654665
H -2.882424 -3.008151 0.675592
H -0.781317 2.775161 0.106283
H 0.937644 3.151947 -0.150635
H -3.437579 1.036612 -2.073628
H 4.521155 1.216102 0.252775
H 4.274587 1.146456 -1.529782
H 5.740804 0.379346 -0.793598


