%chk=000094512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094512

0 1
 S   0.1426000       2.364100     -3.0000001E-04
 O   -3.412300      8.7099999E-02  6.0000003E-04
 O   -2.221400      -1.838000     -1.0000000E-03
 N   -1.315900       1.579900     -1.9999999E-04
 C   0.2804000     -0.1644000      3.0000001E-04
 C    1.122500      0.9498000       0.000000    
 C   -1.084100      0.2714000      6.0000003E-04
 C   0.8661000      -1.449500      3.0000001E-04
 C    2.521100      0.8315000     -3.9999999E-04
 C    2.258700      -1.578600      1.9999999E-04
 C    3.073400     -0.4515000      9.9999997E-05
 C   -2.231000     -0.6019000     -1.9999999E-04
 H   0.2572000      -2.348800      6.0000003E-04
 H    3.161400       1.708100     -7.9999998E-04
 H    2.706400      -2.568700      3.9999999E-04
 H    4.153900     -0.5687000       0.000000    
 H   -4.184900     -0.5175000      3.0000001E-04


%chk=000094512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094512

0 1
S 0.214600 2.537110 -0.000514
O -3.493771 0.008873 0.000539
O -2.147845 -1.879351 -0.000084
N -1.352466 1.644696 -0.000257
C 0.289478 -0.123532 -0.000074
C 1.179271 0.996245 -0.000179
C -1.104553 0.319173 -0.000183
C 0.831172 -1.438977 0.000081
C 2.580284 0.841617 -0.000086
C 2.227511 -1.598776 0.000169
C 3.096166 -0.470935 0.000101
C -2.258264 -0.626551 -0.000118
H 0.150772 -2.294264 0.000119
H 3.250667 1.706341 -0.000190
H 2.656172 -2.606326 0.000290
H 4.180870 -0.622606 0.000158
H -4.205963 -0.688437 0.000726


