%chk=000159644.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159644

0 1
 S   -3.696000       1.292900      0.2898000    
 O    4.133200     -0.5020000      3.6600001E-02
 N   -2.271100     -0.7970000     -0.2434000    
 N   -4.609700      -1.107700     -0.4014000    
 C   1.8400000E-02  4.3499999E-02  5.9500001E-02
 C   -1.405100      0.2322000      6.7500003E-02
 C   0.8618000       1.111700     -0.2460000    
 C   0.5578000      -1.207800      0.3574000    
 C    2.783900     -0.3230000      4.3800000E-02
 C    2.244600      0.9284000     -0.2539000    
 C    1.940600      -1.391100      0.3496000    
 C   -1.989900       1.439800      0.3831000    
 C   -3.505300     -0.3524000     -0.1588000    
 C    4.936900      0.6325000     -0.2838000    
 H   0.4780000       2.096300     -0.5007000    
 H  -7.8699999E-02  -2.054500      0.6036000    
 H    2.841500       1.799000     -0.5035000    
 H    2.355200      -2.367800      0.5836000    
 H   -1.538700       2.379600      0.6697000    
 H    4.818600       1.431500      0.4560000    
 H    4.751200      0.9817000      -1.305300    
 H    5.982500      0.3103000     -0.2416000    
 H   -4.541000      -2.084100     -0.6688000    
 H   -5.546400     -0.7252000     -0.3245000    


%chk=000159644-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159644

0 1
S -3.945043 1.377059 -0.057711
O 4.160827 -0.603950 -0.063946
N -2.320658 -0.760334 -0.002429
N -4.641652 -1.343986 0.032663
C -0.016960 0.182148 -0.050576
C -1.481554 0.380493 -0.045143
C 0.896735 1.266709 -0.084768
C 0.514339 -1.139455 -0.020973
C 2.797200 -0.269367 -0.061138
C 2.291005 1.055280 -0.090471
C 1.899768 -1.365967 -0.026038
C -2.152410 1.596494 -0.078171
C -3.601304 -0.444019 -0.002269
C 5.127668 0.494376 -0.104264
H 0.525586 2.297593 -0.107055
H -0.187547 -1.977799 0.005845
H 2.963951 1.917577 -0.117198
H 2.310878 -2.379819 -0.003527
H -1.750626 2.605776 -0.113583
H 5.033123 1.149007 0.784364
H 5.012074 1.100643 -1.024130
H 6.114746 0.009039 -0.102673
H -4.416487 -2.335613 0.061308
H -5.611359 -1.045086 0.040382


