%chk=000096708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096708

0 1
 S    1.239900       1.517800      5.2000000E-03
 O    1.468800       2.209400       1.267100    
 O    1.386800       2.238600      -1.251600    
 O   -4.826700     -0.9912000       1.097000    
 O   -4.828400     -0.9817000      -1.098200    
 N   -4.265100     -0.7548000       0.000000    
 C  -0.3738000      0.8509000      3.8000001E-03
 C    2.401500      0.1788000     -8.9999998E-04
 C   -1.017700      0.5797000       1.211100    
 C   -1.019600      0.5900000      -1.204800    
 C    2.840200     -0.3232000      -1.211300    
 C    2.841800     -0.3329000       1.204800    
 C   -2.307000      4.7400001E-02   1.209800    
 C   -2.308900      5.7799999E-02  -1.206000    
 C   -2.952600     -0.2135000      1.4000000E-03
 C    3.753700      -1.377200      -1.216200    
 C    3.755400      -1.386900       1.199700    
 C    4.211400      -1.909100     -1.0700000E-02
 H  -0.5308000      0.7698000       2.163400    
 H  -0.5355000      0.7853000      -2.157600    
 H    2.489600      7.3100001E-02  -2.159000    
 H    2.492200      5.2099999E-02   2.157600    
 H   -2.777100     -0.1526000       2.169300    
 H   -2.780400     -0.1344000      -2.166400    
 H    4.107400      -1.785200      -2.158500    
 H    4.110000      -1.802900       2.138200    
 H    4.921900      -2.730500     -1.4600000E-02


%chk=000096708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096708

0 1
S 1.282942 1.597094 0.006554
O 1.437919 2.342708 1.455424
O 1.434492 2.357010 -1.435214
O -4.934946 -1.011525 1.141358
O -4.935744 -1.004830 -1.139466
N -4.379742 -0.778022 0.001431
C -0.459626 0.821908 0.004656
C 2.484343 0.125853 -0.001709
C -1.075143 0.585318 1.244265
C -1.076103 0.592650 -1.235860
C 2.923006 -0.354180 -1.245371
C 2.925484 -0.366244 1.236325
C -2.380357 0.050559 1.243907
C -2.381268 0.057785 -1.237618
C -3.002111 -0.209856 0.002612
C 3.843458 -1.428618 -1.240434
C 3.845881 -1.440606 1.219027
C 4.295161 -1.971281 -0.013764
H -0.557776 0.840800 2.174580
H -0.559760 0.853771 -2.165151
H 2.582268 0.113380 -2.175102
H 2.586719 0.092177 2.171293
H -2.918388 -0.158565 2.171850
H -2.919982 -0.145923 -2.166367
H 4.211207 -1.832011 -2.189469
H 4.215481 -1.853251 2.163354
H 5.009583 -2.801499 -0.018510


