%chk=000061353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061353

0 1
 S    7.434300      0.7108000      0.2410000    
 O    2.706000      0.8544000     -0.9693000    
 O    7.667000       1.589000       1.595600    
 O    7.393400       1.610300     -0.8974000    
 O    8.323100     -0.4365000      0.2708000    
 N    3.821600      -1.048900     -0.2534000    
 C   -3.729900     -0.3957000      0.2442000    
 C   -4.975700      0.4150000     -0.1274000    
 C   -2.427900      0.2346000     -0.2564000    
 C   -6.283100     -0.2508000      0.3078000    
 C   -1.186400     -0.6054000      6.2700003E-02
 C   -7.497300      0.5605000     -0.1499000    
 C   0.1509000     -1.5100000E-02 -0.3945000    
 C   -8.804400     -8.6199999E-02  0.3117000    
 C    1.347700     -0.9242000     -0.1071000    
 C   -10.01590      0.7416000     -0.1161000    
 C    2.675700     -0.2803000     -0.4857000    
 C    5.161600     -0.5684000     -0.5668000    
 C    5.793200      0.1671000      0.5996000    
 C   -11.31520      0.1193000      0.3698000    
 C    3.761400      -2.391100      0.3208000    
 H   -3.683600     -0.5085000       1.334200    
 H   -3.822200      -1.405100     -0.1753000    
 H   -4.992400      0.5616000      -1.214600    
 H   -4.905200       1.411600      0.3256000    
 H   -2.488600      0.3798000      -1.341900    
 H   -2.313400       1.229600      0.1905000    
 H   -6.338800      -1.261900     -0.1134000    
 H   -6.293500     -0.3536000       1.399500    
 H   -1.307900      -1.594500     -0.3970000    
 H   -1.143100     -0.7718000       1.146500    
 H   -7.494300      0.6444000      -1.243500    
 H   -7.429700       1.578500      0.2529000    
 H   0.2959000      0.9534000      0.1006000    
 H   0.1040000      0.1916000      -1.471200    
 H   -8.882700      -1.097500     -0.1056000    
 H   -8.797300     -0.1872000       1.403900    
 H    1.229300      -1.855400     -0.6722000    
 H    1.363000      -1.146500      0.9659000    
 H   -10.04230      0.8256000      -1.208700    
 H   -9.933600       1.758300      0.2857000    
 H    5.780200      -1.415300     -0.8860000    
 H    5.089900      0.1092000      -1.425900    
 H    5.201200       1.054100      0.8504000    
 H    5.846500     -0.4696000       1.488600    
 H   -11.33410      5.2800000E-02   1.462300    
 H   -12.16850      0.7265000      5.1800001E-02
 H   -11.44420     -0.8882000     -3.8400002E-02
 H    4.138800      -3.098600     -0.4243000    
 H    2.766900      -2.714800      0.6223000    
 H    4.408500      -2.424800       1.202500    
 H    7.762200       1.068400       2.427600    


%chk=000061353-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061353

0 1
S 7.428165 0.966359 0.223982
O 2.775978 0.815128 -0.706231
O 7.839854 1.032436 2.049261
O 7.561754 2.448695 -0.407375
O 8.231236 -0.261920 -0.464232
N 3.861877 -1.147260 -0.152280
C -3.761097 -0.540821 0.148109
C -4.980962 0.320305 -0.249835
C -2.413254 0.060030 -0.309428
C -6.327895 -0.265735 0.229803
C -1.193519 -0.807164 0.075551
C -7.548087 0.592804 -0.173270
C 0.149907 -0.173127 -0.345777
C -8.894450 0.014467 0.317438
C 1.356190 -1.062695 0.016770
C -10.114495 0.873121 -0.087531
C 2.695086 -0.389871 -0.307788
C 5.134893 -0.515241 -0.557384
C 5.598111 0.442426 0.553540
C -11.454985 0.289961 0.409643
C 3.921702 -2.537615 0.331827
H -3.748755 -0.669608 1.250971
H -3.875681 -1.558261 -0.281840
H -5.003490 0.435619 -1.353809
H -4.858152 1.342507 0.165778
H -2.428515 0.201921 -1.410144
H -2.295098 1.071934 0.131200
H -6.449667 -1.290230 -0.180776
H -6.306546 -0.375125 1.334564
H -1.299183 -1.810297 -0.389848
H -1.196821 -0.971820 1.174199
H -7.574637 0.695475 -1.278519
H -7.422164 1.619586 0.230188
H 0.271125 0.815693 0.134114
H 0.153242 0.018911 -1.435683
H -9.022034 -1.012902 -0.084199
H -8.869947 -0.086007 1.423007
H 1.283457 -2.032704 -0.515226
H 1.324562 -1.302104 1.101056
H -10.139543 0.971419 -1.192172
H -9.985283 1.899796 0.312199
H 5.889176 -1.302792 -0.728334
H 4.979915 0.045716 -1.494286
H 5.039326 1.389291 0.575194
H 5.662747 -0.031632 1.544508
H -11.467013 0.209719 1.513227
H -12.310277 0.922167 0.107503
H -11.622357 -0.723932 -0.000930
H 4.104081 -3.247814 -0.498320
H 2.983564 -2.816484 0.832390
H 4.740682 -2.649221 1.066193
H 8.748375 1.438995 2.145801


