%chk=000002169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002169

0 1
 S   -4.814300      -1.127200       1.677400    
 O   -2.849400       3.547400     -0.3989000    
 O    3.287700     -0.1098000      0.6498000    
 O   -5.072400      -2.545000       1.477800    
 O   -3.951600     -0.6918000       2.765100    
 O    5.750600      0.7649000       1.596100    
 N   4.8000000E-02   1.206600     -0.4927000    
 N   -6.306000     -0.3036000       1.794100    
 C   -2.056000       2.462200     -0.8977000    
 C   -2.895000       1.230000     -0.9486000    
 C  -0.8112000       2.283600     -6.0000001E-03
 C   -4.190400     -0.4681000      0.1810000    
 C   -3.405600      0.6842000      0.2291000    
 C   -4.464300      -1.074600      -1.044800    
 C   -3.168900      0.6234000      -2.174500    
 C    1.229000       1.069400      0.3460000    
 C   -3.953400     -0.5290000      -2.222500    
 C    2.142300     -2.2500001E-02 -0.1876000    
 C   -5.300900      -2.309100      -1.131400    
 C    4.450700     -0.5365000      6.3600004E-02
 C    5.679600     -9.4499998E-02  0.5418000    
 C    4.384500      -1.415200      -1.012400    
 C    6.856300     -0.5361000     -6.3500002E-02
 C    5.561200      -1.856900      -1.617500    
 C    6.797100      -1.417300      -1.143100    
 C    7.052500       1.165400       2.019400    
 H   -1.736100       2.749400      -1.907300    
 H   -1.106600       2.103000       1.035100    
 H  -0.2577000       3.232100      2.4999999E-03
 H   -3.207700       1.171000       1.180100    
 H   0.3253000       1.399500      -1.454800    
 H   -2.777700       1.035800      -3.100600    
 H   0.9449000      0.8242000       1.376900    
 H    1.789300       2.012000      0.3914000    
 H   -4.154900     -0.9891000      -3.186200    
 H    2.416500      0.2401000      -1.218500    
 H    1.620400     -0.9872000     -0.1838000    
 H   -4.748800      -3.188800     -0.7877000    
 H   -5.571600      -2.515100      -2.174900    
 H   -6.256900      -2.196500     -0.6111000    
 H   -2.284600       4.338900     -0.3851000    
 H   -6.396500      0.4194000       2.518300    
 H   -7.164200     -0.8468000       1.639300    
 H    3.446700      -1.806500      -1.394700    
 H    7.850300     -0.2378000      0.2513000    
 H    5.516000      -2.548600      -2.453700    
 H    7.712600      -1.763400      -1.614100    
 H    7.576200       1.726500       1.238000    
 H    7.637400      0.3148000       2.385500    
 H    6.920300       1.847700       2.865700    


%chk=000002169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002169

0 1
S -5.717260 -0.563296 1.695589
O -3.241122 3.568306 -0.195737
O 3.518224 0.660914 -0.025494
O -5.460890 -1.853921 2.654488
O -6.027862 0.895298 2.352045
O 5.679144 0.303623 1.460698
N 0.209440 2.167428 -0.763935
N -7.128311 -1.090677 0.613709
C -2.247433 2.644903 -0.757090
C -2.810602 1.238832 -0.611692
C -0.881572 2.818474 -0.022186
C -4.323887 -0.338301 0.427775
C -3.868056 0.980761 0.291319
C -3.810902 -1.455835 -0.271878
C -2.264445 0.157276 -1.343422
C 1.424245 1.828502 0.008830
C -2.754174 -1.155710 -1.171947
C 2.300354 0.877133 -0.815287
C -4.330666 -2.869257 -0.114180
C 4.494346 -0.188588 -0.564915
C 5.664152 -0.381217 0.239046
C 4.391124 -0.839831 -1.813372
C 6.698990 -1.220532 -0.229409
C 5.435601 -1.679268 -2.273456
C 6.585113 -1.868663 -1.484364
C 6.853435 0.118320 2.315135
H -2.086781 2.869077 -1.836236
H -0.956777 2.361780 0.980766
H -0.711942 3.916006 0.133102
H -4.318871 1.797266 0.862657
H 0.434912 2.668680 -1.634164
H -1.436983 0.344533 -2.034557
H 1.117460 1.316531 0.937955
H 2.035490 2.711364 0.306035
H -2.315698 -1.977898 -1.748823
H 2.561358 1.328264 -1.797987
H 1.769234 -0.079174 -0.991821
H -4.217153 -3.221697 0.925886
H -3.793306 -3.556482 -0.788048
H -5.410507 -2.911954 -0.346863
H -2.847859 4.474710 -0.129653
H -7.626807 -0.246816 0.281733
H -7.730761 -1.702766 1.191676
H 3.500406 -0.702338 -2.433519
H 7.596791 -1.375050 0.376359
H 5.340162 -2.178334 -3.243396
H 7.396096 -2.516682 -1.832881
H 7.776526 0.475846 1.817644
H 6.977479 -0.943048 2.607195
H 6.653248 0.728007 3.208272


