%chk=000056983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056983

0 1
 S   -4.513500      -1.326200      1.3500000E-02
 S    2.116300     -0.7695000     -0.5446000    
 O   -3.793800      -2.628000      0.6780000    
 O   -5.006400      -1.677100      -1.300800    
 O   -5.352500     -0.6916000       1.007200    
 O   -2.375000       1.282300      -1.796800    
 O   -1.030300       1.915800       1.564400    
 O   -4.427800       1.541600     -0.8722000    
 N  -0.1743000      4.9000001E-03  0.4930000    
 N    3.036200       1.522100      0.1391000    
 N    1.713600       1.513800      0.5467000    
 C   -3.042700     -0.3434000     -0.1830000    
 C   -2.466000      1.4600000E-02   1.187900    
 C    5.638000     -0.5783000      5.3800002E-02
 C    4.710900      8.0899999E-02 -0.9889000    
 C    7.033600     -0.8584000     -0.5035000    
 C   -1.146600      0.7789000       1.120400    
 C   -3.383600      0.9102000     -0.9663000    
 C    3.374400      0.3920000     -0.4440000    
 C    1.147000      0.3857000      0.2455000    
 C    7.942300      -1.470500      0.5507000    
 H   -2.360000     -0.9512000     -0.7872000    
 H   -2.292400     -0.8838000       1.792300    
 H   -3.170200      0.6398000       1.751700    
 H    5.189800      -1.516900      0.4040000    
 H    5.719100      7.6499999E-02  0.9312000    
 H    4.632600     -0.5673000      -1.870600    
 H    5.174200       1.012700      -1.337400    
 H    7.482200      7.3299997E-02 -0.8670000    
 H    6.961300      -1.539500      -1.359200    
 H  -0.4055000     -0.9364000      0.1874000    
 H    7.536600      -2.419900      0.9147000    
 H    8.061000     -0.7971000       1.405500    
 H    8.934100      -1.663700      0.1302000    
 H   -3.240300      -3.166800      6.5099999E-02
 H   -2.594500       2.097600      -2.296000    


%chk=000056983-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056983

0 1
S -4.552967 0.623990 -0.984896
S 2.440818 -0.544344 0.493234
O -4.066618 2.405349 -0.925397
O -6.052900 0.439404 -0.419594
O -4.182291 0.020329 -2.440695
O -4.316855 0.758404 2.258846
O -0.329858 0.330176 0.456828
O -3.922474 -1.523413 1.987701
N 0.034003 -1.846323 -0.293305
N 3.464653 -2.919969 -0.233186
N 2.076751 -3.029314 -0.453659
C -3.113736 0.087909 0.317406
C -2.263586 -0.981691 -0.345029
C 5.791927 -0.171978 -0.292895
C 5.256694 -1.356324 0.558833
C 7.260575 0.166425 0.046554
C -0.781644 -0.753465 -0.008866
C -3.815212 -0.344388 1.588969
C 3.840749 -1.736743 0.244121
C 1.421783 -1.909179 -0.132839
C 7.805978 1.342336 -0.791529
H -2.593180 1.053023 0.442716
H -2.382230 -0.930534 -1.449016
H -2.597625 -1.984011 -0.020210
H 5.160164 0.724148 -0.127330
H 5.704108 -0.427947 -1.366696
H 5.347837 -1.099221 1.633098
H 5.877802 -2.253649 0.383812
H 7.890379 -0.731137 -0.118555
H 7.339971 0.410226 1.125746
H -0.379090 -2.710414 -0.659551
H 7.211812 2.260094 -0.622974
H 7.767129 1.111207 -1.872467
H 8.856345 1.567657 -0.532039
H -4.739487 2.934009 -1.444706
H -4.831924 0.476456 3.062369


