%chk=000170527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170527

0 1
 S    1.965900       1.921500     -0.2787000    
 S   -1.183700       2.280200     -2.2399999E-02
 S   -4.167300       2.567400      0.2322000    
 O   -1.102700      -1.477200      0.6381000    
 O   -3.807500     -0.8039000      -1.631900    
 O   -5.475400      -1.849700     -0.5041000    
 N    1.580500     -0.6801000      0.2241000    
 N   -2.689200      0.2511000      0.4883000    
 C   0.9007000      0.5303000      7.7000000E-02
 C    2.969700     -0.5247000      5.4499999E-02
 C  -0.4191000      0.7570000      0.1696000    
 C    3.364900      0.8034000     -0.2225000    
 C   -1.410000     -0.3062000      0.4588000    
 C    1.025700      -1.988800      0.5114000    
 C    3.945200      -1.514600      0.1309000    
 C    4.693800       1.151300     -0.4207000    
 C   -3.870000     -0.5676000      0.7501000    
 C   -2.792200       1.618000      0.2581000    
 C    5.287500      -1.173700     -6.7500003E-02
 C    5.658700      0.1488000     -0.3411000    
 C   -4.475300      -1.142500     -0.5046000    
 H   0.4372000      -2.376900     -0.3286000    
 H   0.6267000      -2.048800       1.531100    
 H    1.797600      -2.762600      0.5693000    
 H    3.727300      -2.554800      0.3387000    
 H   -4.634300      4.9000001E-03   1.281000    
 H   -3.565600      -1.413600       1.376100    
 H    4.986000       2.174600     -0.6329000    
 H    6.052400      -1.943700     -8.8000000E-03
 H    6.706500      0.3935000     -0.4921000    
 H   -4.220200      -1.190500      -2.433400    


%chk=000170527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170527

0 1
S 2.059541 1.919124 -0.298862
S -1.225870 2.126040 -0.769385
S -4.308575 2.387343 -0.507509
O -1.221400 -1.298299 1.243321
O -4.071742 -1.321025 -1.273672
O -5.932903 -1.436492 0.116796
N 1.694237 -0.705581 -0.021997
N -2.728486 0.325098 0.415421
C 0.953705 0.464583 -0.118405
C 3.097327 -0.525530 0.069476
C -0.430736 0.608765 -0.098077
C 3.500310 0.826333 -0.098783
C -1.407400 -0.243287 0.558565
C 1.100319 -2.041056 -0.247903
C 4.067788 -1.532430 0.268195
C 4.853917 1.198109 -0.097379
C -3.875570 -0.395572 0.964374
C -2.874675 1.544605 -0.229142
C 5.430663 -1.162314 0.276874
C 5.824743 0.185636 0.093154
C -4.755141 -1.078599 -0.081327
H 0.243135 -1.934403 -0.931893
H 0.725635 -2.479880 0.688811
H 1.858721 -2.686525 -0.719288
H 3.775179 -2.573126 0.433248
H -4.519694 0.286428 1.542602
H -3.464103 -1.174055 1.635758
H 5.154163 2.241169 -0.234337
H 6.192052 -1.932731 0.435725
H 6.886143 0.452012 0.104876
H -4.687484 -1.762237 -1.919238


