%chk=000060941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060941

0 1
 S  -9.2699997E-02 -0.9539000      0.3393000    
 O   -3.636000      -1.459500       1.505200    
 O    3.357100      -1.807800       1.221700    
 O   -3.354100      -2.674400     -0.3881000    
 O   -3.195300       2.928300       1.113800    
 O   -3.322600       2.446800      -1.096900    
 N   -2.856000      0.7952000      0.4778000    
 C   -2.731600     -0.3312000     -0.4133000    
 C   -1.303700     -0.4881000     -0.9421000    
 C    2.427600     -0.1804000     -0.2820000    
 C    1.317800      -1.074400     -0.6347000    
 C   -3.260400      -1.611000      0.2127000    
 C    3.398000     -0.5811000      0.6274000    
 C    2.485100       1.073300     -0.8779000    
 C    4.443100      0.2859000      0.9464000    
 C    3.530200       1.940400     -0.5588000    
 C    4.509100       1.546700      0.3533000    
 C   -3.139000       2.076100      5.6000002E-02
 C    1.423400      -1.930700      -1.659800    
 H   -3.391400     -0.1271000      -1.266800    
 H  -0.9733000      0.4477000      -1.407500    
 H   -1.307700      -1.260900      -1.718400    
 H   -2.713600      0.6434000       1.472000    
 H    1.730500       1.395700      -1.591200    
 H    5.209200     -1.4300000E-02   1.656100    
 H    3.581700       2.922100      -1.020600    
 H    5.322800       2.221700      0.6017000    
 H   0.6238000      -2.613100      -1.930400    
 H    2.328300      -1.985500      -2.258200    
 H   -3.980000      -2.294800       1.887600    
 H    2.560600      -2.294100      0.9559000    
 H   -3.395900       3.846400      0.8327000    


%chk=000060941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060941

0 1
S -0.186728 -0.168264 0.245872
O -3.213465 -0.641442 2.297789
O 3.701107 -2.144543 -0.457661
O -2.991383 -2.649234 1.142421
O -3.780596 3.020309 -0.354139
O -3.633678 1.425600 -2.078579
N -3.232276 0.869578 0.162792
C -2.962597 -0.539033 -0.121442
C -1.606813 -0.792351 -0.834546
C 2.531314 0.037493 -0.237976
C 1.275793 -0.522518 -0.811704
C -3.056722 -1.405523 1.137812
C 3.688482 -0.793847 -0.095056
C 2.611855 1.384491 0.206180
C 4.881600 -0.276489 0.460234
C 3.802197 1.905237 0.751444
C 4.938909 1.068530 0.874594
C -3.549279 1.727346 -0.857807
C 1.226296 -1.246081 -1.971393
H -3.733014 -0.916000 -0.824405
H -1.593784 -0.249299 -1.793137
H -1.487599 -1.876324 -0.996757
H -3.196038 1.203536 1.127135
H 1.727600 2.022850 0.102610
H 5.741291 -0.945588 0.559750
H 3.846240 2.950016 1.074835
H 5.869232 1.462582 1.298182
H 0.306215 -1.683760 -2.365476
H 2.111674 -1.313309 -2.614716
H -3.239267 -1.232159 3.097513
H 2.801254 -2.410072 -0.796621
H -4.002822 3.615666 -1.114849


