%chk=000114291.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114291

1 1
 S   -2.519500       2.065400     -0.9407000    
 O    5.055200     -0.3445000      0.5692000    
 N  -0.1842000      0.6258000     -0.7956000    
 C    1.098000      0.3807000     -0.4654000    
 C  -0.9459000     -0.4011000      -1.529800    
 C    1.824700       1.367500      0.2369000    
 C  -0.8110000       1.769100     -0.4886000    
 C   -1.647100      -1.338300     -0.5850000    
 C    1.180000       2.568100      0.5639000    
 C    1.702500     -0.8318000     -0.8116000    
 C  -0.1465000       2.770900      0.1991000    
 C    3.161200       1.108900      0.5795000    
 C    3.758400     -0.1044000      0.2304000    
 C    3.031000      -1.071300     -0.4629000    
 C   -1.515300      -1.154500      0.7851000    
 C   -2.417700      -2.375000      -1.094800    
 C   -3.283300       2.314800      0.6847000    
 C   -2.165800      -2.023400       1.661300    
 C   -3.068100      -3.243700     -0.2184000    
 C   -2.942100      -3.067800       1.159700    
 C   -4.768200       2.588200      0.5393000    
 C    5.603800      -1.603500      0.1838000    
 H  -0.3039000     -0.9332000      -2.236000    
 H   -1.667300      6.7400001E-02  -2.205100    
 H    1.707700       3.352200       1.101800    
 H    1.205000      -1.650800      -1.315800    
 H  -0.6215000       3.713900      0.4525000    
 H    3.742300       1.853000       1.120700    
 H    3.435200      -2.034800     -0.7548000    
 H  -0.9288000     -0.3667000       1.241600    
 H   -2.520600      -2.518200      -2.166600    
 H   -3.131100       1.422500       1.299200    
 H   -2.814300       3.162000       1.193900    
 H   -2.068300      -1.887100       2.734500    
 H   -3.672700      -4.057000     -0.6089000    
 H   -3.448600      -3.744200       1.841900    
 H   -4.955100       3.493500     -4.8099998E-02
 H   -5.286100       1.749400      6.1700001E-02
 H   -5.218800       2.735600       1.526500    
 H    6.641800      -1.623600      0.5318000    
 H    5.630300      -1.715100     -0.9055000    
 H    5.086900      -2.435300      0.6746000    


%chk=000114291-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114291

1 1
S -2.904499 1.869567 -0.121051
O 5.017649 -0.297527 0.277422
N -0.532285 0.517398 -0.419699
C 0.851465 0.260180 -0.250367
C -1.351188 -0.488454 -1.186409
C 1.679608 1.245279 0.406471
C -1.117870 1.661299 0.079946
C -1.666016 -1.766725 -0.414693
C 1.053638 2.437997 0.895222
C 1.453514 -0.940506 -0.714567
C -0.311758 2.633528 0.744510
C 3.070516 1.016027 0.560832
C 3.655941 -0.169956 0.082240
C 2.828530 -1.151564 -0.553315
C -2.006454 -1.739642 0.959639
C -1.674248 -3.000499 -1.111593
C -3.228317 3.653292 0.498217
C -2.346095 -2.935556 1.629514
C -2.024669 -4.194529 -0.442690
C -2.358104 -4.164824 0.930629
C -4.716265 3.941691 0.264384
C 5.699735 -1.519198 -0.193950
H -0.804258 -0.714672 -2.117998
H -2.284014 0.017670 -1.490392
H 1.661282 3.195586 1.400856
H 0.858698 -1.733338 -1.169262
H -0.779805 3.536335 1.136246
H 3.702981 1.759024 1.055568
H 3.260461 -2.089062 -0.914222
H -2.012162 -0.793337 1.513014
H -1.421398 -3.032115 -2.179515
H -2.971223 3.687225 1.569177
H -2.582011 4.330027 -0.083586
H -2.606821 -2.908771 2.692701
H -2.035103 -5.142686 -0.990070
H -2.626536 -5.089999 1.450765
H -4.982260 3.895944 -0.805073
H -5.364907 3.244906 0.822106
H -4.937366 4.962989 0.622888
H 6.753960 -1.367905 0.073389
H 5.602816 -1.627347 -1.289759
H 5.307037 -2.414151 0.322474


