%chk=000176629.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176629

0 1
 S   0.5724000      0.8802000      0.5480000    
 O   -1.807300       2.716800     -2.3700001E-02
 O    4.214100      0.7519000       1.164000    
 O    3.470900      -1.377400      0.9197000    
 N    3.547600     -0.5123000      -1.893100    
 N   -3.151500      -2.680100      0.1138000    
 C    2.918600      0.2313000     -0.7997000    
 C    1.406200      1.4000000E-03 -0.8122000    
 C   -1.133200      0.4233000      0.2649000    
 C   -1.478200     -0.9276000      0.2975000    
 C   -2.109200       1.387500      1.5400000E-02
 C   -2.800800      -1.314400      8.0399998E-02
 C    3.559600     -0.2311000      0.4955000    
 C   -3.431700       1.000600     -0.2015000    
 C   -3.777400     -0.3502000     -0.1691000    
 H    3.131000       1.298000     -0.9425000    
 H   0.9794000      0.3482000      -1.760400    
 H    1.193400      -1.069700     -0.7217000    
 H  -0.7296000      -1.689700      0.5036000    
 H    4.537400     -0.2733000      -1.943600    
 H    3.140700     -0.2227000      -2.781700    
 H   -4.204000       1.739900     -0.3971000    
 H   -4.811400     -0.6391000     -0.3396000    
 H   -4.110100      -2.960400     -4.5100000E-02
 H   -2.444200      -3.380400      0.2927000    
 H   -2.616100       3.223700     -0.2098000    
 H    4.603300      0.4268000       2.003700    


%chk=000176629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176629

0 1
S 0.453108 1.669560 -0.122760
O -2.254210 2.899235 -0.535050
O 4.045048 -0.713662 1.148912
O 1.919476 -1.538085 0.731339
N 3.768887 -0.245443 -1.708001
N -2.507151 -2.651219 0.584795
C 2.866840 0.311235 -0.673155
C 1.469331 0.542323 -1.269504
C -1.160889 0.780261 -0.058830
C -1.221401 -0.597178 0.238079
C -2.356197 1.516606 -0.264617
C -2.467849 -1.280509 0.300912
C 2.828141 -0.729816 0.452841
C -3.598473 0.843350 -0.188944
C -3.661883 -0.538201 0.082638
H 3.236641 1.264112 -0.227578
H 1.553260 1.059470 -2.240849
H 0.931265 -0.407017 -1.404727
H -0.290273 -1.139521 0.438798
H 4.732141 -0.387611 -1.390896
H 3.705067 0.226967 -2.613696
H -4.529380 1.403388 -0.351424
H -4.636637 -1.037816 0.131030
H -3.391686 -3.140469 0.675167
H -1.648476 -3.168177 0.747171
H -3.155466 3.284311 -0.668906
H 4.040667 -1.424893 1.845655


