%chk=000008281.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008281

0 1
 S   0.4264000      -2.035100      5.7999999E-03
 O   0.2360000      -2.442200      -1.372900    
 O   0.9249000      -2.977000      0.9893000    
 O   -1.853300     -0.4699000      -1.426500    
 N   -1.015600      -1.319800      0.5899000    
 N    4.111600       2.631000      6.7199998E-02
 C    1.522400     -0.6486000      2.4200000E-02
 C    2.265400     -0.3893000       1.162900    
 C    1.616500      0.1536000      -1.100100    
 C    3.237100       1.524700      5.3599998E-02
 C    3.129300      0.7059000       1.177800    
 C    2.480500       1.248500      -1.085300    
 C   -1.949500     -0.5905000     -0.2142000    
 C   -3.756300       1.090000      0.3204000    
 C   -3.061100     -2.7799999E-02  0.6000000    
 C   -4.880400       1.670000       1.132500    
 C   -3.433800       1.876500     -0.9248000    
 H    2.190200      -1.009200       2.050900    
 H    1.032500     -4.2100001E-02  -1.994000    
 H   -1.207000      -1.434000       1.594000    
 H    3.712300      0.9118000       2.071900    
 H    2.554600       1.879700      -1.967200    
 H   -3.285900     -0.5584000       1.522500    
 H   -5.101300       1.048500       2.006600    
 H   -4.619000       2.670700       1.490700    
 H   -5.792100       1.737000      0.5303000    
 H   -3.749800       2.920300     -0.8119000    
 H   -3.964100       1.462000      -1.788000    
 H   -2.360800       1.917400      -1.135100    
 H    4.659000       2.833400      0.8931000    
 H    4.188200       3.225800     -0.7471000    


%chk=000008281-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008281

0 1
S 0.441946 -1.917422 0.148675
O 0.204516 -2.542463 -1.322771
O 0.788425 -2.873354 1.422116
O -1.329088 0.384047 -0.977216
N -1.137630 -1.143066 0.760603
N 4.616461 2.444477 -0.105568
C 1.685502 -0.536619 0.072793
C 2.534459 -0.366295 1.181847
C 1.775113 0.242442 -1.095251
C 3.644151 1.454488 -0.045163
C 3.516607 0.636139 1.119695
C 2.761995 1.239312 -1.149883
C -1.838964 -0.158248 0.053737
C -4.051408 1.109940 0.245562
C -3.160859 0.154882 0.664666
C -5.364789 1.288750 0.984501
C -3.837601 2.035446 -0.932619
H 2.436298 -1.017671 2.056181
H 1.081984 0.076942 -1.923967
H -1.519290 -1.663785 1.558941
H 4.193519 0.786534 1.968350
H 2.851284 1.862896 -2.046567
H -3.437957 -0.454504 1.536213
H -5.475499 0.586279 1.827802
H -5.451239 2.321118 1.376579
H -6.219345 1.143273 0.295048
H -3.931955 3.089826 -0.605406
H -4.631441 1.870284 -1.688215
H -2.857393 1.880517 -1.404005
H 5.251560 2.601775 0.671772
H 4.717539 3.026961 -0.931948


