%chk=000106434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106434

0 1
 S   -3.490200     -1.3200000E-02  0.3424000    
 O   -4.725100      0.1179000     -0.7155000    
 O   -3.401700       1.216300       1.110000    
 O   -3.571000      -1.308800      0.9935000    
 N    3.579600      -1.227100      0.3574000    
 C  -0.7980000      4.6999999E-03 -0.1932000    
 C   0.3760000      2.7400000E-02  -1.180700    
 C   -2.179100     -4.8999999E-02 -0.8364000    
 C    1.732000      2.8100001E-02 -0.5209000    
 C    2.348300       1.220000     -0.1985000    
 C    2.365700      -1.158000     -0.2336000    
 C    3.597900       1.189800      0.4105000    
 C    4.165600     -4.8200000E-02  0.6650000    
 H  -0.7339000      0.8905000      0.4523000    
 H  -0.6876000     -0.8567000      0.4786000    
 H   0.2893000      0.9077000      -1.831000    
 H   0.3043000     -0.8386000      -1.851700    
 H   -2.311300      0.8170000      -1.493600    
 H   -2.292800     -0.9605000      -1.431700    
 H    1.875700       2.174700     -0.4091000    
 H    1.918200      -2.118500     -0.4671000    
 H    4.110900       2.106300      0.6782000    
 H   -4.807100      0.9913000      -1.166000    
 H    5.138700     -0.1261000       1.138600    


%chk=000106434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106434

0 1
S -3.510347 0.241184 0.308826
O -4.806561 0.309332 -1.032911
O -3.381291 1.684346 1.028225
O -3.728213 -1.081978 1.213860
N 3.776350 -1.241878 0.220541
C -0.734623 0.042442 -0.231521
C 0.430515 -0.079474 -1.260898
C -2.079504 -0.006479 -0.955018
C 1.787094 -0.031490 -0.576943
C 2.320740 1.178598 -0.064135
C 2.563376 -1.206716 -0.405454
C 3.573960 1.166259 0.584836
C 4.263741 -0.062864 0.707339
H -0.637000 0.994241 0.323124
H -0.660983 -0.779384 0.504358
H 0.348001 0.742865 -1.998696
H 0.328179 -1.028994 -1.820297
H -2.241511 0.819098 -1.666039
H -2.321178 -0.978754 -1.412127
H 1.766150 2.118311 -0.177149
H 2.200387 -2.168967 -0.789723
H 4.011886 2.085064 0.987245
H -5.702526 0.389261 -0.596430
H 5.237757 -0.117024 1.206486


