%chk=000042979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042979

0 1
 S   -2.964500      0.3187000      0.7947000    
 O   -2.112200     -0.4318000     -0.3849000    
 O   -2.600600       1.722100      0.8290000    
 O   -2.916900     -0.5118000       1.983600    
 O    7.136100       1.163700      9.5799997E-02
 O    6.340400     -0.9746000     -2.4100000E-02
 N    2.535400       1.086800     -0.1130000    
 N    3.369900     -0.9726000     -0.1583000    
 N    4.900200      0.8832000     -1.5200000E-02
 C    1.449500      0.2536000     -0.1960000    
 C    1.996500      -1.026200     -0.2229000    
 C  -0.7615000     -0.6142000     -0.3317000    
 C   7.7399999E-02  0.5019000     -0.2483000    
 C    1.138800      -2.135900     -0.3066000    
 C    3.658700      0.3078000     -9.3500003E-02
 C  -0.2424000      -1.910600     -0.3603000    
 C   -4.634100      0.2763000      0.2174000    
 C   -5.438300     -0.8001000      0.5515000    
 C   -5.108100       1.320100     -0.5591000    
 C   -6.756000     -0.8338000      9.5299996E-02
 C   -6.425900       1.286300      -1.015100    
 C   -7.249700      0.2093000     -0.6878000    
 C    6.134600      0.2321000      1.4300000E-02
 C    8.472700      0.6497000      0.1352000    
 H  -0.3009000       1.516700     -0.2466000    
 H    2.510200       2.097000     -7.3500000E-02
 H    1.532500      -3.147100     -0.3293000    
 H  -0.9152000      -2.762600     -0.4245000    
 H   -5.071100      -1.626100       1.152700    
 H   -4.481500       2.163100     -0.8335000    
 H    4.922600       1.899000      2.6300000E-02
 H   -7.397100      -1.673200      0.3481000    
 H   -6.810000       2.097300      -1.627100    
 H   -8.275400      0.1825000      -1.043900    
 H    8.609300      1.8700000E-02   1.018500    
 H    9.160300       1.497200      0.1994000    
 H    8.689700      8.9699998E-02 -0.7793000    


%chk=000042979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042979

0 1
S -3.167847 0.083099 1.162607
O -2.070747 -0.670332 -0.463393
O -2.587017 1.581949 1.459064
O -3.322078 -0.990970 2.381381
O 7.196598 1.220064 0.171598
O 6.361421 -0.734011 -0.849267
N 2.567138 1.081718 -0.184267
N 3.448469 -0.993065 0.241287
N 4.965723 0.929266 0.131990
C 1.469702 0.201287 -0.160167
C 2.054305 -1.095220 0.094465
C -0.723859 -0.774260 -0.246343
C 0.096058 0.394440 -0.332545
C 1.223185 -2.240834 0.194453
C 3.715190 0.311111 0.061100
C -0.158603 -2.068026 0.042006
C -4.815249 0.224110 0.267860
C -5.723809 -0.838478 0.401047
C -5.060367 1.381308 -0.489288
C -6.963387 -0.723652 -0.269585
C -6.306133 1.474786 -1.151619
C -7.249563 0.425335 -1.044250
C 6.181154 0.337626 -0.244589
C 8.567877 0.785392 -0.172755
H -0.372457 1.365291 -0.515620
H 2.539971 2.072815 -0.417909
H 1.665199 -3.220694 0.394139
H -0.849809 -2.912477 0.121287
H -5.476624 -1.708561 1.017298
H -4.316346 2.181955 -0.541957
H 5.045017 1.850576 0.568161
H -7.699627 -1.529602 -0.185929
H -6.535859 2.363602 -1.748251
H -8.211554 0.505196 -1.561855
H 8.788388 -0.187347 0.297441
H 9.220500 1.574236 0.226216
H 8.678439 0.694568 -1.266511


