%chk=000070789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070789

0 1
 S    2.501500      0.1148000      9.9600002E-02
 O   -3.371000     -0.4049000     -3.0400001E-02
 O    2.835600       1.404700      0.6868000    
 O    3.061400      -1.104500      0.6657000    
 N    2.861100      0.1595000      -1.570200    
 C   0.7626000     -3.9299998E-02  6.1299998E-02
 C  -3.8600001E-02   1.102500      5.5199999E-02
 C   0.1748000      -1.303900      3.6800001E-02
 C   -2.015600     -0.2850000      1.9999999E-04
 C   -1.427700      0.9796000      2.4800001E-02
 C   -1.214400      -1.426900      6.2000002E-03
 C   -4.129800      0.8034000     -3.5799999E-02
 H   0.3989000       2.096900      6.7299999E-02
 H   0.7794000      -2.206500      3.4499999E-02
 H   -1.989900       1.907200      2.0199999E-02
 H   -1.666700      -2.414600     -1.4400000E-02
 H    3.172200       1.054400      -1.967200    
 H    3.324600     -0.6605000      -1.980200    
 H   -3.975000       1.379800      0.8826000    
 H   -5.187400      0.5208000     -6.1200000E-02
 H   -3.935700       1.396500     -0.9359000    


%chk=000070789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070789

0 1
S 2.572155 0.097875 0.048659
O -3.443133 -0.418018 -0.008375
O 2.958473 1.571329 0.635470
O 3.157819 -1.297894 0.657753
N 3.054395 0.117263 -1.728845
C 0.709609 -0.028923 0.012842
C -0.037367 1.157735 0.031434
C 0.123044 -1.309182 -0.000496
C -2.063959 -0.210738 0.000721
C -1.445921 1.067750 0.026179
C -1.278844 -1.395479 -0.006228
C -4.316232 0.761439 0.012778
H 0.468770 2.127568 0.074755
H 0.748567 -2.207053 0.019976
H -2.039935 1.985495 0.045506
H -1.788452 -2.362997 -0.011738
H 3.537698 1.012563 -1.915211
H 3.655349 -0.706543 -1.902370
H -4.158235 1.359092 0.930893
H -5.338981 0.358131 0.002830
H -4.154522 1.394587 -0.880634


