%chk=000147867.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147867

0 1
 S   0.4446000       2.198800     -0.2507000    
 O  -0.4322000       2.269900       1.126100    
 O    1.475300       3.220500     -0.1537000    
 O  -0.4763000       2.174300      -1.374700    
 N    4.661900     -0.6996000      0.2201000    
 N  -0.8800000     -0.5175000     -0.5651000    
 N   -1.472300     -0.5629000      0.5387000    
 C    3.266200     -0.6471000      2.4499999E-02
 C    1.232800      0.6365000     -0.2085000    
 C    2.613000      0.5849000     -1.3400000E-02
 C   0.5109000     -0.5437000     -0.3653000    
 C    2.539200      -1.827200     -0.1328000    
 C    1.159200      -1.775500     -0.3280000    
 C    5.443000      -1.779100     -0.3505000    
 C    5.335600      0.3328000      0.9826000    
 C   -2.856300     -0.5366000      0.3403000    
 C   -3.561100      -1.730300      0.1840000    
 C   -3.532300      0.6829000      0.2982000    
 C   -4.941400      -1.704500     -1.4700000E-02
 C   -4.912700      0.7086000      9.9699996E-02
 C   -5.617200     -0.4852000     -5.6800000E-02
 H    3.180600       1.503500      9.7300000E-02
 H    3.015300      -2.802900     -9.6900001E-02
 H   0.6011000      -2.700400     -0.4481000    
 H    5.358400      -2.684100      0.2600000    
 H    6.505200      -1.514600     -0.4011000    
 H    5.126000      -2.005700      -1.374800    
 H    6.315300     -1.1600000E-02   1.332600    
 H    4.764100      0.6113000       1.875200    
 H    5.500700       1.224200      0.3683000    
 H   8.7800004E-02   2.215900       1.962300    
 H   -3.043600      -2.685600      0.2160000    
 H   -2.996900       1.620000      0.4188000    
 H   -5.490100      -2.633900     -0.1364000    
 H   -5.439100       1.658000      6.6799998E-02
 H   -6.692000     -0.4650000     -0.2114000    


%chk=000147867-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147867

0 1
S 0.223384 1.513643 1.346450
O -0.744966 0.625421 2.679242
O 1.367383 2.254828 2.252196
O -0.703666 2.478086 0.447742
N 4.812146 -0.551688 0.035782
N -0.814246 -0.908445 -0.785042
N -1.550030 -0.251265 0.072736
C 3.438403 -0.614897 -0.159241
C 1.182553 0.174456 0.360676
C 2.558113 0.254469 0.568947
C 0.572285 -0.736699 -0.542749
C 2.847950 -1.528162 -1.094767
C 1.461349 -1.572982 -1.274222
C 5.705385 -1.420404 -0.746151
C 5.379867 0.393818 1.012187
C -2.959078 -0.310973 -0.111371
C -3.724138 0.343510 0.891234
C -3.604210 -0.957521 -1.205374
C -5.131337 0.347862 0.803990
C -5.008519 -0.944732 -1.281291
C -5.776133 -0.294049 -0.279990
H 2.934048 1.001145 1.274243
H 3.477828 -2.202964 -1.678939
H 1.007391 -2.274748 -1.981592
H 5.509277 -2.493188 -0.548594
H 6.750310 -1.210376 -0.472183
H 5.595897 -1.243547 -1.834551
H 6.473292 0.272807 1.043410
H 4.986706 0.210461 2.030838
H 5.158677 1.445009 0.741804
H -0.346018 1.023971 3.513640
H -3.185853 0.826006 1.712571
H -2.992403 -1.449130 -1.967865
H -5.724392 0.852206 1.574379
H -5.514763 -1.436442 -2.119730
H -6.869793 -0.286385 -0.349816


