%chk=000078165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078165

0 1
 S   -2.945800      5.0299998E-02 -6.1600000E-02
 O    3.783300     -0.3649000     -0.2604000    
 O   -3.681200      -1.283500      0.5222000    
 O   -3.031200      3.3900000E-02  -1.510600    
 O   -3.381600       1.198900      0.7115000    
 N    1.064800      0.2862000      0.2759000    
 C    1.452800      -1.038000     -0.2296000    
 C    2.021500       1.301500     -0.1862000    
 C  -0.2936000      0.6241000     -0.1436000    
 C    2.877300      -1.363200      0.2108000    
 C    3.432900      0.9212000      0.2522000    
 C   -1.299200     -0.3666000      0.4193000    
 H  -0.3692000      0.6636000      -1.238300    
 H  -0.5497000       1.626100      0.2239000    
 H    1.391900      -1.064300      -1.325300    
 H   0.8217000      -1.835300      0.1717000    
 H    1.770900       2.281400      0.2361000    
 H    1.989800       1.384100      -1.280500    
 H    2.956100      -1.443300       1.301900    
 H    3.189800      -2.322200     -0.2148000    
 H    4.153500       1.644300     -0.1430000    
 H    3.530500      0.9189000       1.344600    
 H   -1.268700     -0.3951000       1.513300    
 H   -1.146900      -1.376100      2.7500000E-02
 H   -3.516400      -2.114500      1.7700000E-02


%chk=000078165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078165

0 1
S -3.019164 -0.198813 -0.156143
O 3.983086 -0.172474 0.015052
O -3.727310 -0.893912 1.432904
O -3.345541 -1.200665 -1.387456
O -3.400793 1.369597 -0.295664
N 1.113619 0.136995 -0.061348
C 1.779162 -0.963133 -0.802892
C 1.999460 1.318709 0.092488
C -0.264126 0.421923 -0.500338
C 3.095930 -1.341161 -0.103374
C 3.308879 0.890543 0.778023
C -1.186576 -0.384186 0.430155
H -0.440040 0.148295 -1.564108
H -0.485082 1.498820 -0.396677
H 1.994893 -0.661440 -1.856625
H 1.112165 -1.845149 -0.832503
H 1.488448 2.077111 0.714119
H 2.237696 1.780796 -0.895948
H 2.877897 -1.752126 0.905889
H 3.660201 -2.082043 -0.692723
H 4.026239 1.726244 0.819081
H 3.088792 0.533306 1.807077
H -1.201601 -0.006295 1.462277
H -1.023531 -1.471764 0.397005
H -4.719403 -0.961677 1.326430


