%chk=000147872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147872

0 1
 S   -3.839500       2.723000      4.9800001E-02
 S   -3.842000      -2.716200      0.1430000    
 O   -4.270300       3.068900      -1.488900    
 O   -4.273200      -3.113800      -1.383200    
 O   -5.069600       2.492900      0.7934000    
 O   -2.885000       3.729000      0.4885000    
 O   -2.902400      -3.731300      0.5965000    
 O   -5.054600      -2.438100      0.8967000    
 N    6.612600     -4.8000002E-03 -0.1803000    
 N   0.4813000     -8.6000003E-03 -0.5077000    
 N    1.069000      1.0300000E-02  0.5994000    
 C   -2.975500       1.208600     -4.5200001E-02
 C   -2.976400      -1.207000     -3.5999999E-03
 C   -3.666600      2.7000001E-03  7.2200000E-02
 C  -0.9105000     -4.6999999E-03 -0.3129000    
 C   -1.594000       1.204900     -0.2382000    
 C   -1.595000      -1.210700     -0.1966000    
 C    5.216500     -1.4000000E-03  1.7800000E-02
 C    2.453900      6.3000000E-03  0.4061000    
 C    4.526200       1.208400      9.4400004E-02
 C    4.525400      -1.207300      0.1354000    
 C    3.144900       1.212200      0.2887000    
 C    3.144100      -1.203400      0.3294000    
 C    7.253400      -1.106600     -0.8708000    
 C    7.427300       1.086400      0.3162000    
 H   -4.744700      6.5000001E-03  0.2064000    
 H   -1.042900       2.136100     -0.3400000    
 H   -1.045300      -2.145800     -0.2656000    
 H    5.032000       2.164500     -5.2999998E-03
 H    5.033600      -2.166400      9.2200004E-02
 H    2.615300       2.159800      0.3449000    
 H    2.614400      -2.148000      0.4229000    
 H    8.246400     -0.8201000      -1.235200    
 H    6.676000      -1.421300      -1.747500    
 H    7.383200      -1.962300     -0.1999000    
 H    7.369700       1.950000     -0.3546000    
 H    8.480900      0.7935000      0.3855000    
 H    7.118900       1.391900       1.322500    
 H   -4.869700       2.413600      -1.917500    
 H   -3.525400      -3.262200      -2.008600    


%chk=000147872-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147872

0 1
S -3.712498 1.448659 2.213178
S -4.285969 -2.078649 -2.133179
O -3.948223 2.967220 1.168631
O -4.457889 -0.749779 -3.416736
O -5.168186 0.865040 2.610467
O -2.608890 1.759602 3.352564
O -3.443917 -3.305601 -2.765763
O -5.726608 -2.331820 -1.445704
N 6.800104 0.065150 -0.111762
N 0.433766 -0.518387 -0.532844
N 1.162465 0.193320 0.307054
C -2.946808 0.416904 0.828262
C -3.195848 -1.061168 -0.990672
C -3.831530 -0.298247 0.001071
C -0.968190 -0.394770 -0.303835
C -1.557978 0.407034 0.720686
C -1.810963 -1.135787 -1.175820
C 5.415126 0.082302 -0.029577
C 2.552994 0.106240 0.132426
C 4.609726 -0.694596 -0.939655
C 4.738550 0.871852 0.963102
C 3.218326 -0.681750 -0.860201
C 3.343318 0.876965 1.035401
C 7.608488 0.866494 0.823605
C 7.478806 -0.755107 -1.130800
H -4.917666 -0.284075 0.137578
H -0.912211 0.973183 1.399746
H -1.366699 -1.760491 -1.956766
H 5.089687 -1.306833 -1.707716
H 5.308558 1.475583 1.673164
H 2.610336 -1.272363 -1.552389
H 2.822840 1.475079 1.790698
H 8.676291 0.720813 0.601795
H 7.432525 0.564360 1.874361
H 7.383530 1.946794 0.730909
H 7.244131 -1.830443 -1.009827
H 8.567701 -0.631982 -1.031554
H 7.192279 -0.449732 -2.155746
H -4.429140 3.647218 1.725088
H -5.057933 -1.098729 -4.138941


