%chk=000031726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031726

0 1
 S  -0.1647000       2.214900      0.1816000    
 O   -1.644000      -2.166100      0.6835000    
 O    4.298400      0.7407000      5.0999999E-02
 O    2.091100      -2.613300      0.6293000    
 O    1.072900      -2.493800      -1.415100    
 O   -4.483300     -0.6855000      0.6568000    
 O    5.989800      0.1746000      -1.417400    
 N  -8.5600004E-02 -0.3965000      0.6554000    
 N   -2.808500      0.9119000      0.4819000    
 N   -7.207400      0.2260000      -1.335700    
 C  -0.4307000      0.8430000       1.327600    
 C   -1.868800      0.2861000       1.409200    
 C   -1.250400      -1.041000      0.8844000    
 C    1.106700     -0.6178000      4.4399999E-02
 C    1.956300      0.3984000     -0.2374000    
 C    1.618500       1.867500      6.2000002E-03
 C    3.330400      0.2256000     -0.8386000    
 C    1.404700      -2.001100     -0.3556000    
 C   -4.056900      0.3632000      0.1797000    
 C   -4.830200       1.212000     -0.8087000    
 C    5.604400      0.6542000     -0.3598000    
 C   -6.157000      0.6599000      -1.101400    
 C    6.514500       1.237000      0.6785000    
 H   5.9599999E-02  0.9502000       2.302500    
 H   -2.266700      0.2171000       2.426700    
 H    2.134800       2.219000      0.9061000    
 H    1.965200       2.474000     -0.8373000    
 H   -2.561900       1.790500      3.2099999E-02
 H    3.376300      0.7666000      -1.792100    
 H    3.558000     -0.8257000      -1.043900    
 H   -4.244200       1.284900      -1.731800    
 H   -4.930400       2.221600     -0.3946000    
 H    2.312300      -3.541900      0.4031000    
 H    6.414400      0.6794000       1.613000    
 H    6.273200       2.291800      0.8316000    
 H    7.550700       1.162100      0.3366000    


%chk=000031726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031726

0 1
S -0.103991 1.771088 0.131653
O -1.534221 -2.389924 -0.881524
O 4.519827 0.610860 0.376075
O 1.090325 -3.458248 0.201492
O 2.746828 -2.783050 -1.281606
O -4.512844 0.232885 1.812343
O 4.818942 2.416930 -1.079147
N 0.052091 -0.991189 0.356339
N -2.943365 0.392882 0.093676
N -4.259062 2.351187 -2.513151
C -0.524970 0.175387 1.057995
C -1.957024 -0.415325 0.773215
C -1.209592 -1.497539 -0.088282
C 1.380697 -1.113774 -0.105770
C 2.200631 -0.005740 -0.185881
C 1.758715 1.399248 0.195494
C 3.643312 -0.076134 -0.634406
C 1.824868 -2.491199 -0.481857
C -4.177290 0.644846 0.667758
C -5.179402 1.471749 -0.175794
C 5.095246 1.836345 -0.005402
C -4.686590 1.963199 -1.468413
C 6.077717 2.303843 1.043037
H -0.217625 0.271295 2.109784
H -2.428248 -0.826808 1.682382
H 2.106360 1.643053 1.215176
H 2.218699 2.129013 -0.493856
H -2.729079 0.758123 -0.839408
H 3.771404 0.443800 -1.603665
H 4.023272 -1.101931 -0.711021
H -5.506693 2.321581 0.450747
H -6.070682 0.835759 -0.331122
H 1.346139 -4.361808 -0.127061
H 7.041551 1.782629 0.896968
H 5.718917 2.060751 2.055572
H 6.246636 3.385716 0.939458


