%chk=000084437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084437

0 1
 S   0.6658000       1.630000      0.1576000    
 O   0.4654000       2.832700     -0.6275000    
 O    1.025700       1.718800       1.559600    
 O    3.328800      -1.079800     -0.9324000    
 O    2.322900     -0.8310000       1.117300    
 N    1.775000      0.6076000     -0.6449000    
 C  -0.8111000      0.6631000      6.7900002E-02
 C   -1.654700      0.8170000      -1.018700    
 C   -1.097100     -0.2300000       1.086100    
 C   -3.124200     -0.8512000     -7.2300002E-02
 C   -2.820300      5.3900000E-02  -1.089200    
 C   -2.262600     -0.9931000       1.015400    
 C   -4.370300      -1.667000     -0.1480000    
 C    2.476200     -0.4840000     -4.7699999E-02
 C    4.080400      -2.186900     -0.4234000    
 H   -1.431100       1.510700      -1.823200    
 H  -0.4382000     -0.3598000       1.938900    
 H   -3.482000      0.1709000      -1.943300    
 H   -2.487000      -1.697000       1.812500    
 H    2.000100      0.8364000      -1.621500    
 H   -5.162300      -1.130200     -0.6812000    
 H   -4.171900      -2.608300     -0.6699000    
 H   -4.755100      -1.894400      0.8520000    
 H    3.406200      -2.986600     -0.1025000    
 H    4.718500      -1.862700      0.4042000    
 H    4.715500      -2.565500      -1.228700    


%chk=000084437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084437

0 1
S 0.681891 1.700287 0.081819
O 0.552539 2.893124 -1.011645
O 1.101681 1.996097 1.612489
O 3.605202 -0.938238 -0.829416
O 1.925892 -1.146845 0.812700
N 1.977997 0.637786 -0.722329
C -0.862414 0.629799 0.033486
C -1.748753 0.836273 -1.035309
C -1.085365 -0.278714 1.079271
C -3.213361 -0.873240 -0.024927
C -2.933876 0.069595 -1.050362
C -2.280270 -1.028994 1.035113
C -4.476892 -1.711629 -0.071440
C 2.451472 -0.530522 -0.145547
C 4.179562 -2.222475 -0.361843
H -1.528485 1.580571 -1.807152
H -0.355734 -0.397241 1.884450
H -3.651390 0.210756 -1.866531
H -2.486857 -1.747341 1.836210
H 2.505124 1.119585 -1.458946
H -5.299516 -1.179939 -0.579942
H -4.300818 -2.653226 -0.626807
H -4.818659 -1.987645 0.940882
H 3.454747 -3.041321 -0.505782
H 4.447497 -2.153937 0.705475
H 5.071386 -2.368969 -0.986814


