%chk=000086505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086505

0 1
 S    1.517000       2.244300      0.5807000    
 O   -1.461000       2.133500      8.5299999E-02
 O   -1.683500      0.2460000      -2.010700    
 O   -3.853000      -1.139900      -1.030100    
 O   -4.635800     -0.8704000       1.614200    
 O    4.851800     -0.8937000      6.4000003E-02
 O    3.022700      -2.243100      0.2338000    
 N    1.331200     -0.2615000     -0.3130000    
 C   0.5932000       1.008200     -0.3867000    
 C  -0.8235000      0.8532000      0.1479000    
 C   -1.684000     -0.1537000     -0.6349000    
 C    2.755500      9.8899998E-02 -0.2804000    
 C    2.948400       1.160600      0.7925000    
 C   -3.142200     -0.2551000     -0.1620000    
 C   -3.257200     -0.7818000       1.267900    
 C    3.520400      -1.145600      3.1599998E-02
 H   0.5833000       1.380000      -1.418200    
 H  -0.7943000      0.5535000       1.202500    
 H   -1.224900      -1.148900     -0.6022000    
 H    3.067400      0.4579000      -1.270400    
 H    1.125700     -0.8360000      -1.129500    
 H    2.941000      0.7409000       1.804100    
 H    3.877400       1.721000      0.6530000    
 H   -3.651500      0.7105000     -0.2535000    
 H   -2.828600      -1.785700       1.352300    
 H   -2.772200     -0.1164000       1.986500    
 H  -0.9289000       2.750300      0.6163000    
 H   -2.218500     -0.4010000      -2.501500    
 H   -3.430400      -2.014100     -0.9756000    
 H   -4.679500      -1.212300       2.523500    
 H    5.372300      -1.699300      0.2695000    


%chk=000086505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086505

0 1
S 1.582100 2.797803 -0.169934
O -1.352593 1.965509 0.362979
O -1.667438 0.229660 -2.117434
O -3.447650 -1.398103 -0.886349
O -3.959920 -1.417735 1.765648
O 3.443514 -2.026067 0.120472
O 1.719397 -1.281605 1.485099
N 1.620520 0.301904 -1.255427
C 0.613584 1.308585 -1.005457
C -0.507312 0.842523 -0.047105
C -1.393191 -0.208613 -0.743363
C 2.698564 0.240449 -0.235938
C 2.624671 1.487569 0.709607
C -2.728793 -0.440761 -0.019222
C -2.583420 -1.024692 1.388427
C 2.541967 -1.058571 0.569385
H 0.164220 1.674620 -1.941167
H -0.046283 0.362813 0.842389
H -0.829820 -1.165730 -0.771587
H 3.674505 0.196541 -0.748201
H 1.969161 0.286876 -2.216849
H 2.150532 1.228166 1.668692
H 3.622512 1.914911 0.888788
H -3.286927 0.512630 0.031697
H -1.916135 -1.911458 1.379320
H -2.187317 -0.254781 2.077402
H -0.737922 2.695221 0.655616
H -2.442203 -0.311991 -2.426025
H -4.233749 -1.713490 -0.367814
H -3.958991 -1.851296 2.653350
H 3.292717 -2.880588 0.609899


