%chk=000048746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048746

0 1
 S    2.368300      0.1721000      0.9347000    
 O   0.2479000      -1.565500       1.492200    
 O  -0.9937000       1.589000      -1.756900    
 O   -4.174500     -0.7671000      0.5641000    
 N   -1.961900      -1.093500       1.096900    
 N   -2.582200      0.4819000     -0.5266000    
 C  -0.2580000      0.4602000      0.2592000    
 C    1.124000      0.3281000     -0.3972000    
 C    1.164300     -0.8056000      -1.450700    
 C  -0.2122000       1.572900       1.321600    
 C  -0.6038000     -0.8363000      0.9847000    
 C   -1.281400      0.8854000     -0.7890000    
 C   0.9301000      -2.183500     -0.8193000    
 C   0.2118000     -0.6122000      -2.635800    
 C   9.3599997E-02   2.912100      0.6897000    
 C    3.835100      3.8600001E-02 -0.1097000    
 C   -2.990200     -0.4680000      0.4020000    
 C    5.082700     -0.1086000      0.7402000    
 H    1.381300       1.243600     -0.9415000    
 H    2.155600     -0.8176000      -1.914400    
 H   0.4467000       1.376600       2.172900    
 H   -1.204900       1.660800       1.787800    
 H    1.604500      -2.426500      4.4000000E-03
 H    1.220200      -2.923000      -1.582600    
 H  -0.1161000      -2.441800     -0.6440000    
 H   0.3499000      0.3582000      -3.119100    
 H   0.4737000      -1.348500      -3.408700    
 H  -0.8349000     -0.8233000      -2.410000    
 H    1.063400       2.961500      0.1908000    
 H  -0.6840000       3.257800      4.0000002E-03
 H   0.1321000       3.666900       1.485300    
 H   -2.228600      -1.874500       1.689800    
 H   -3.305800      0.8623000      -1.130200    
 H    3.783100     -0.8536000     -0.7364000    
 H    3.920500      0.9232000     -0.7479000    
 H    5.230800      0.7609000       1.389800    
 H    5.041600      -1.007200       1.365500    
 H    5.965100     -0.1938000      9.7099997E-02


%chk=000048746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048746

0 1
S 2.468163 -0.268929 0.856964
O -0.179250 -1.403022 1.988308
O -0.931720 1.869270 -1.555116
O -4.352423 -0.830291 0.037538
N -2.222237 -1.097853 0.965317
N -2.600436 0.535531 -0.691605
C -0.291375 0.394352 0.314936
C 1.054045 0.014496 -0.409625
C 1.035426 -1.162614 -1.442195
C -0.090106 1.544432 1.404305
C -0.858333 -0.779792 1.134769
C -1.263319 0.979607 -0.728280
C 0.687129 -2.553050 -0.860505
C 0.177505 -0.875314 -2.703053
C 0.634046 2.817419 0.933805
C 3.861199 0.557352 -0.142241
C -3.145746 -0.488721 0.101321
C 5.187225 0.388957 0.614123
H 1.353640 0.929414 -0.953912
H 2.090233 -1.217386 -1.785011
H 0.477963 1.078865 2.228939
H -1.094063 1.807648 1.796784
H 1.253580 -2.756882 0.063706
H 0.933593 -3.334795 -1.602546
H -0.392135 -2.649194 -0.638281
H 0.386440 0.120304 -3.132103
H 0.392186 -1.640005 -3.472270
H -0.905930 -0.932169 -2.488366
H 1.687735 2.602475 0.686933
H 0.152512 3.278452 0.055687
H 0.631185 3.553251 1.758895
H -2.594777 -1.847212 1.558202
H -3.250616 0.985022 -1.345073
H 3.907744 0.073942 -1.134189
H 3.607339 1.624303 -0.276078
H 5.140597 0.857596 1.613410
H 5.435945 -0.678766 0.747966
H 6.011134 0.865306 0.051239


