%chk=000139538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139538

0 1
 S    3.384300      0.8080000      1.7000000E-03
 O   0.8575000       1.496700     -5.0000002E-04
 N    1.130300     -0.7929000     -1.1000000E-03
 C  -0.2287000     -0.5381000     -1.0000000E-03
 C  -0.3631000      0.8369000     -7.9999998E-04
 C   -1.319600      -1.382700       0.000000    
 C    1.765600      0.4345000     -5.0000002E-04
 C   -1.601100       1.444700      1.9999999E-04
 C    1.683500      -2.131300      5.0000002E-04
 C   -2.584600     -0.7887000      7.9999998E-04
 C   -2.724300      0.6130000      6.9999998E-04
 H   -1.215400      -2.461300      3.9999999E-04
 H    2.775400      -2.103500     -6.9999998E-04
 H    1.342200      -2.661900     -0.8934000    
 H    1.344200      -2.658900      0.8970000    
 H   -1.705500       2.523300      6.0000003E-04
 H   -3.473400      -1.414300      1.6000000E-03
 H   -3.718900       1.051100      1.4000000E-03


%chk=000139538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139538

0 1
S 3.504913 0.672240 -0.000048
O 0.873813 1.458279 0.000042
N 1.131086 -0.797887 0.000057
C -0.259169 -0.550352 0.000207
C -0.409836 0.857438 0.000139
C -1.379240 -1.400457 0.000465
C 1.845970 0.404349 -0.000122
C -1.655240 1.489140 0.000277
C 1.751148 -2.122919 0.000603
C -2.652475 -0.776661 0.000566
C -2.789542 0.635614 0.000465
H -1.281010 -2.490079 0.000568
H 2.844680 -1.983293 -0.001311
H 1.454035 -2.689361 -0.899957
H 1.457028 -2.687374 0.903409
H -1.745574 2.578289 0.000232
H -3.551806 -1.401267 0.000746
H -3.790379 1.078903 0.000561


