%chk=000112871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112871

0 1
 S   -4.173000      3.0999999E-02 -0.2754000    
 O   0.1388000      -2.520900      0.6010000    
 O   -4.776200      0.7350000       1.070000    
 O   -4.443000      0.9308000      -1.385700    
 O   -4.627100      -1.349200     -0.3080000    
 O    2.336300       2.066900      0.3904000    
 O    4.292400      0.2125000      -1.557600    
 N    1.699200     -0.1870000      0.5686000    
 C   -2.440800     -1.2200000E-02 -2.9300001E-02
 C   -1.678700       1.156000     -4.8200000E-02
 C   0.2987000     -0.1385000      0.3674000    
 C  -0.2997000       1.092600      0.1515000    
 C  -0.4447000      -1.307400      0.3891000    
 C   -1.823700      -1.243800      0.1892000    
 C   -2.308800       2.490600     -0.2796000    
 C    2.588200      0.8795000      0.5785000    
 C    4.016300      0.4325000      0.8263000    
 C    4.801400      0.1601000     -0.4390000    
 C   0.5909000      -3.231500     -0.5495000    
 C    6.253500     -0.1970000     -0.2596000    
 H   0.2319000       2.031100      0.1245000    
 H   -2.392700      -2.169000      0.2131000    
 H   -1.597000       3.301600     -8.2599998E-02
 H   -2.618900       2.602200      -1.322500    
 H   -3.148100       2.674000      0.3935000    
 H    2.078000      -1.118300      0.7253000    
 H    4.027400     -0.4723000       1.443600    
 H    4.522100       1.227100       1.386000    
 H   -4.903900       1.710800       1.024600    
 H    1.068100      -4.156600     -0.2149000    
 H    1.324700      -2.642600      -1.108900    
 H  -0.2544000      -3.488200      -1.195700    
 H    6.773600      0.6237000      0.2403000    
 H    6.715700     -0.3647000      -1.236400    
 H    6.334900      -1.112000      0.3322000    


%chk=000112871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112871

0 1
S -4.058553 0.000254 -0.641887
O 0.700391 -2.165165 -0.227263
O -4.647437 0.324702 1.100725
O -4.642934 1.190075 -1.573319
O -4.392755 -1.535200 -1.035967
O 2.441274 2.352237 0.797244
O 4.116288 -1.483142 -0.119610
N 1.913879 0.099621 0.359948
C -2.225003 0.147148 -0.290141
C -1.641661 1.391400 0.026712
C 0.519794 0.181486 0.151662
C -0.238463 1.373355 0.242124
C -0.140322 -1.050267 -0.167624
C -1.525397 -1.071148 -0.386912
C -2.419503 2.686553 0.149385
C 2.779210 1.137757 0.665956
C 4.250877 0.732679 0.908269
C 4.824010 -0.471246 0.154614
C 0.104375 -3.458690 -0.579200
C 6.288976 -0.397199 -0.228996
H 0.282831 2.300838 0.486727
H -2.069006 -1.988125 -0.631104
H -1.750605 3.507398 0.452468
H -2.903755 2.957638 -0.805203
H -3.224029 2.590734 0.900671
H 2.348531 -0.834206 0.222473
H 4.346067 0.504625 1.992226
H 4.861201 1.633756 0.732896
H -5.643124 0.423399 1.054672
H 0.943064 -4.168791 -0.580445
H -0.359084 -3.418895 -1.582885
H -0.648891 -3.763157 0.171623
H 6.421726 0.347749 -1.037976
H 6.644413 -1.376921 -0.582476
H 6.905015 -0.054452 0.622812


