%chk=000172409.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172409

0 1
 S   -3.123900      0.2092000     -0.4912000    
 O   -4.010300       1.360100     -0.5960000    
 O   -3.037200     -0.7386000      -1.592800    
 N   -3.443800     -0.5772000      0.9098000    
 N   -4.575600      -1.094600      0.9484000    
 N   -5.614400      -1.565200      0.9744000    
 C   0.9131000      0.5642000     -2.9899999E-02
 C    2.062600     -0.2634000      1.0800000E-02
 C  -0.3652000     -1.0500000E-02 -0.2207000    
 C    1.044300       1.964400      0.1204000    
 C    1.931300      -1.663600     -0.1395000    
 C    3.340800      0.3113000      0.2017000    
 C   -1.493300      0.8220000     -0.2587000    
 C  -0.4758000      -1.399700     -0.3678000    
 C   0.6569000      -2.215100     -0.3277000    
 C    2.318800       2.515900      0.3086000    
 C  -0.1030000       2.769900      7.7900000E-02
 C    3.451500       1.700500      0.3487000    
 C   -1.361800       2.201700     -0.1103000    
 C    3.078700      -2.469100     -9.6900001E-02
 C    4.468900     -0.5212000      0.2395000    
 C    4.337500      -1.900900      9.1300003E-02
 H   -1.418100      -1.922800     -0.4737000    
 H   0.5316000      -3.290800     -0.4362000    
 H    2.444300       3.590400      0.4265000    
 H  -2.5900001E-02   3.849100      0.1922000    
 H    4.424400       2.165000      0.4966000    
 H   -2.215300       2.872500     -0.1309000    
 H    3.002200      -3.548400     -0.2102000    
 H    5.462200     -0.1017000      0.3851000    
 H    5.218800      -2.535200      0.1224000    


%chk=000172409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172409

0 1
S -3.211684 0.266828 -0.715365
O -4.193458 1.550596 -0.878220
O -3.288549 -0.941171 -1.801273
N -3.477223 -0.585266 1.191846
N -4.634647 -1.091565 1.325933
N -5.698321 -1.589698 1.538876
C 0.927056 0.563292 -0.075704
C 2.092874 -0.273451 -0.004726
C -0.369130 -0.031140 -0.339660
C 1.053980 1.988251 0.125168
C 1.977379 -1.696757 -0.194028
C 3.386796 0.308422 0.256509
C -1.465951 0.871113 -0.392137
C -0.459328 -1.462738 -0.528327
C 0.672152 -2.255499 -0.454923
C 2.362403 2.545527 0.384410
C -0.102381 2.813112 0.065388
C 3.484057 1.738227 0.446632
C -1.368648 2.258667 -0.181412
C 3.143352 -2.506687 -0.120132
C 4.527892 -0.536466 0.322004
C 4.405025 -1.929825 0.134973
H -1.430660 -1.913525 -0.745088
H 0.587587 -3.338527 -0.600079
H 2.447016 3.627844 0.532446
H -0.002995 3.893075 0.216004
H 4.470412 2.173614 0.643776
H -2.267323 2.881118 -0.227620
H 3.052324 -3.589216 -0.264271
H 5.510249 -0.093394 0.521892
H 5.294043 -2.566561 0.188907


