%chk=000113127.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113127

0 1
 S   1.9999999E-04   1.809900      9.9999997E-05
 S   -2.725700       1.736800      -1.851900    
 S    2.726000       1.736600       1.851900    
 O   -1.660600       1.229700      -2.980800    
 O    1.660800       1.229500       2.980900    
 O   -4.058000       1.505000      -2.384100    
 O   -2.319700       3.056600      -1.401800    
 O    4.058300       1.504800       2.384100    
 O    2.319900       3.056500       1.401900    
 O   -4.294400      -2.861800       2.100000    
 O    4.294700      -2.861800      -2.100200    
 O   -5.454800      -2.075500      0.4105000    
 O    5.455000      -2.075500     -0.4107000    
 N   -4.429700      -2.072400       1.134100    
 N    4.429900      -2.072400      -1.134300    
 C   -1.348900      0.6718000      0.2971000    
 C    1.345800      0.6745000     -0.2964000    
 C   -2.497600      0.6504000     -0.4940000    
 C    2.497900      0.6504000      0.4939000    
 C   -3.518500     -0.2588000     -0.2169000    
 C    3.518800     -0.2588000      0.2168000    
 C   -1.221200     -0.2160000       1.365600    
 C    1.221400     -0.2160000      -1.365700    
 C   -3.390600      -1.146600      0.8514000    
 C    3.390900      -1.146600     -0.8516000    
 C   -2.242200      -1.125100       1.643000    
 C    2.242400      -1.125100      -1.643100    
 H   -4.412500     -0.2801000     -0.8332000    
 H    4.412800     -0.2802000      0.8332000    
 H  -0.3417000     -0.2231000       2.002300    
 H   0.3421000     -0.2236000      -2.002900    
 H   -2.108700      -1.801300       2.483700    
 H    2.108900      -1.801200      -2.483700    
 H   -1.804200      0.3139000      -3.317100    
 H    1.804500      0.3136000       3.317100    


%chk=000113127-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113127

0 1
S -0.003435 1.875539 0.000043
S -2.822684 1.652773 -1.951416
S 2.813943 1.660109 1.955007
O -1.490214 0.828704 -2.971814
O 1.482364 0.831092 2.972435
O -4.265983 1.279907 -2.569179
O -2.422859 3.194492 -1.696564
O 4.257549 1.290931 2.573978
O 2.409364 3.201068 1.702398
O -4.283663 -2.929598 2.301668
O 4.298452 -2.908029 -2.305318
O -5.522722 -2.160859 0.542931
O 5.532841 -2.137044 -0.544283
N -4.471736 -2.156526 1.287455
N 4.482436 -2.135909 -1.289634
C -1.342829 0.642504 0.325463
C 1.340390 0.647292 -0.324708
C -2.527374 0.558502 -0.435953
C 2.524665 0.567080 0.437555
C -3.565263 -0.339427 -0.155883
C 3.566828 -0.325564 0.156422
C -1.209875 -0.228539 1.438128
C 1.212201 -0.222141 -1.439141
C -3.390612 -1.187601 0.954015
C 3.396662 -1.172578 -0.955056
C -2.227280 -1.149206 1.751700
C 2.233730 -1.137954 -1.753494
H -4.469521 -0.390304 -0.771913
H 4.470878 -0.373617 0.772981
H -0.309310 -0.152452 2.059023
H 0.312085 -0.148498 -2.060961
H -2.141577 -1.824003 2.607504
H 2.151718 -1.811479 -2.610654
H -1.407712 1.335910 -3.830504
H 1.389844 1.343528 3.826969


