%chk=000097099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097099

0 1
 S   -1.720600      -1.119800     -1.5000000E-02
 S    5.370800       2.215400      1.3900000E-02
 O    3.700200      -2.640300      5.1000002E-03
 N    2.749900       1.398700     -1.8000000E-03
 N    4.417200     -0.3913000      7.0000002E-03
 N   0.9283000      -1.601700     -7.0000002E-03
 N   0.4276000      0.5660000     -1.0200000E-02
 N   -6.141100      3.8800001E-02   1.231200    
 C    2.118900     -0.9325000     -2.7000001E-03
 C    1.787900      0.3926000     -4.9999999E-03
 C    3.448900      -1.438200      2.9000000E-03
 C    4.138000       1.038900      5.9000002E-03
 C  -6.1900001E-02 -0.6558000     -1.1300000E-02
 C    2.307800       2.800300     -4.1000000E-03
 C    5.815400     -0.8441000      1.3300000E-02
 C   -2.612400      0.4761000     -1.7100001E-02
 C   -4.104900      0.2922000     -2.0500001E-02
 C   -4.796800      0.2065000      -1.213800    
 C   -4.801300      0.2054000       1.164500    
 C   -6.176400      3.5100002E-02  -1.186000    
 C   -6.795600     -4.2300001E-02  5.1100001E-02
 H   0.7987000      -2.604700     -6.6000000E-03
 H    2.684800       3.296600      0.8953000    
 H    1.217700       2.884200     -1.8300001E-02
 H    2.707300       3.301700     -0.8910000    
 H    6.312900     -0.4616000      0.9100000    
 H    6.322400     -0.4582000     -0.8766000    
 H    5.904800      -1.933300      1.1600000E-02
 H   -2.306200       1.056100     -0.8958000    
 H   -2.310400       1.055900      0.8631000    
 H   -4.283200      0.2695000      -2.168600    
 H   -4.303100      0.2658000       2.126800    
 H   -6.748900     -3.6200002E-02  -2.103800    
 H   -7.869600     -0.1761000      0.1271000    


%chk=000097099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097099

0 1
S -1.814832 -1.318406 0.136146
S 5.256226 2.266516 -0.076210
O 3.899219 -2.680143 -0.070741
N 2.699402 1.334751 0.004252
N 4.420374 -0.349577 -0.068804
N 0.945746 -1.755505 0.042260
N 0.373631 0.451616 0.078014
N -6.303524 0.278192 1.124046
C 2.144168 -1.029020 0.004468
C 1.758367 0.316059 0.028014
C 3.504936 -1.474468 -0.046568
C 4.072422 1.022051 -0.045671
C -0.086321 -0.829238 0.084409
C 2.258980 2.745485 0.033236
C 5.861675 -0.690513 -0.119931
C -2.596817 0.441597 0.218040
C -4.088034 0.320576 0.058611
C -4.692908 0.164443 -1.215477
C -4.944009 0.370764 1.190262
C -6.097516 0.068542 -1.304962
C -6.860337 0.127529 -0.114348
H 0.878958 -2.773414 0.040797
H 2.679473 3.251713 0.917642
H 1.159435 2.748546 0.067512
H 2.625296 3.271220 -0.863711
H 6.377721 -0.271096 0.759148
H 6.318462 -0.255116 -1.023688
H 5.935875 -1.787721 -0.132170
H -2.113268 1.013548 -0.588050
H -2.302023 0.865344 1.189536
H -4.070721 0.117712 -2.116566
H -4.523346 0.493969 2.196391
H -6.596347 -0.049244 -2.271807
H -7.953263 0.052991 -0.140482


