%chk=000146116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146116

0 1
 S    4.673900      -1.001200     -0.7780000    
 O    5.279500      -1.501500      0.4493000    
 O    4.935000      -1.690500      -2.034600    
 N    5.092400      0.6456000     -0.9619000    
 N   -3.166900     -0.5617000       1.436300    
 N    5.545900       3.692600       1.138900    
 C    1.015600     -0.7425000      0.9122000    
 C    2.942800     -0.9274000     -0.5608000    
 C   0.1586000     -0.8082000     -0.2123000    
 C    2.405600     -0.8033000      0.7208000    
 C    2.100200     -0.9921000      -1.666500    
 C   0.7169000     -0.9331000      -1.494900    
 C   -1.231300     -0.7470000     -2.0800000E-02
 C   -1.768700     -0.6226000       1.260700    
 C   0.4574000     -0.6172000       2.194700    
 C  -0.9259000     -0.5578000       2.366300    
 C    4.799800       1.600300      0.1168000    
 C   -4.209800     -7.5900003E-02  0.6241000    
 C    5.814000       2.734100      7.4199997E-02
 C   -5.479900     -0.6507000      0.6974000    
 C   -3.975900      0.9813000     -0.2570000    
 C   -6.276900      0.8864000     -0.9873000    
 C   -6.512600     -0.1701000     -0.1077000    
 C   -5.008500       1.462200      -1.062100    
 C   -7.381100       1.400400      -1.847900    
 H    3.063900     -0.7494000       1.585500    
 H    2.496600      -1.081100      -2.674000    
 H   7.7299997E-02 -0.9836000      -2.373800    
 H   -1.885600     -0.8215000     -0.8874000    
 H    1.096900     -0.5642000       3.073300    
 H    5.106300       1.034800      -1.913000    
 H   -1.333000     -0.4595000       3.369500    
 H    4.848200       1.099800       1.089900    
 H    3.786500       1.992600     -2.4200000E-02
 H   -3.483700     -0.9453000       2.322400    
 H    5.768500       3.247300     -0.8928000    
 H    6.830500       2.339000      0.1843000    
 H   -5.676000      -1.475000       1.378500    
 H   -3.004300       1.463900     -0.3204000    
 H   -7.496900     -0.6258000     -3.9299998E-02
 H   -4.814400       2.290100      -1.738800    
 H    6.261900       4.417700       1.129100    
 H    5.620000       3.230500       2.044400    
 H   -7.922400       2.197300      -1.328400    
 H   -6.994000       1.797300      -2.792600    
 H   -8.088100      0.6032000      -2.101500    


%chk=000146116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146116

0 1
S 4.701309 -0.903104 -0.828276
O 5.324637 -1.472114 0.562166
O 4.962826 -1.571940 -2.286106
N 5.378368 0.801921 -0.973316
N -3.313514 -0.379562 1.459114
N 6.468990 3.498268 1.410875
C 0.913223 -0.663003 0.889594
C 2.828108 -0.793591 -0.590023
C 0.041102 -0.597993 -0.269117
C 2.327281 -0.761326 0.706213
C 2.009539 -0.759330 -1.752609
C 0.628094 -0.662081 -1.581284
C -1.371814 -0.499604 -0.089705
C -1.935189 -0.456123 1.200663
C 0.316357 -0.636679 2.194042
C -1.059876 -0.531404 2.346846
C 5.337278 1.639867 0.241257
C -4.381668 -0.048344 0.582871
C 6.497996 2.669427 0.196642
C -5.669862 -0.583071 0.856452
C -4.236307 0.844989 -0.512379
C -6.641418 0.641916 -1.050648
C -6.775999 -0.236157 0.055405
C -5.350990 1.169371 -1.312793
C -7.839362 1.027792 -1.900716
H 3.002359 -0.839688 1.566017
H 2.466766 -0.843521 -2.743705
H -0.029240 -0.642807 -2.458022
H -2.014207 -0.497898 -0.974498
H 0.962960 -0.693233 3.076917
H 5.020375 1.219536 -1.846636
H -1.498646 -0.496886 3.352029
H 5.495441 0.966661 1.105179
H 4.379111 2.179628 0.388523
H -3.595052 -0.638829 2.406359
H 6.362678 3.332692 -0.678741
H 7.442926 2.106943 0.034812
H -5.798567 -1.283632 1.691237
H -3.269058 1.311944 -0.717833
H -7.758700 -0.664678 0.286740
H -5.215383 1.862036 -2.152591
H 6.822002 4.450706 1.309140
H 6.799816 3.036542 2.261073
H -8.314648 1.955567 -1.526053
H -7.550144 1.210513 -2.950790
H -8.611599 0.238478 -1.893723


