%chk=000047753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047753

0 1
 S    1.710800       3.997900     -5.0999999E-02
 O  -0.4775000      -2.323200     -0.8854000    
 O   -3.243500       1.965500      0.6962000    
 O    1.796900       4.303800       1.550800    
 O    1.911400      -1.242800      -2.346600    
 O    3.070100       3.788900     -0.5213000    
 O   0.8550000       5.000500     -0.6612000    
 N   -1.183300       3.523600      0.5365000    
 C  -0.4156000     -5.2000000E-03 -0.4028000    
 C   -1.137100       1.116700      1.0300000E-02
 C   0.9471000      0.1121000     -0.7019000    
 C  -0.4961000       2.356200      0.1238000    
 C   0.8621000       2.468700     -0.1754000    
 C   -2.517500      -1.428800     -0.2080000    
 C   -3.239100     -0.3067000      0.2051000    
 C   -1.079400      -1.318900     -0.5268000    
 C   -2.575200       1.007100      0.3291000    
 C    1.582100       1.349100     -0.5873000    
 C    1.793800     -0.9925000      -1.140300    
 C   -3.158600      -2.668200     -0.3219000    
 C   -4.601800     -0.4240000      0.5043000    
 C    2.541200      -1.853000     -0.1782000    
 C   -4.516700      -2.780700     -2.2900000E-02
 C   -5.236800      -1.660900      0.3892000    
 C    2.425200      -1.592500       1.168500    
 C    3.318900      -2.875100     -0.6736000    
 C    3.124500      -2.397100       2.068100    
 C    4.018100      -3.679700      0.2260000    
 C    3.920900      -3.440700       1.596800    
 H    2.641100       1.418900     -0.8225000    
 H   -2.621500      -3.557400     -0.6408000    
 H   -5.187800      0.4320000      0.8277000    
 H  -0.7026000       4.404800      0.6468000    
 H   -2.166500       3.484100      0.7646000    
 H   -5.013600      -3.742500     -0.1116000    
 H   -6.294000      -1.751400      0.6213000    
 H    1.815500     -0.7921000       1.573000    
 H    3.409800      -3.080400      -1.735600    
 H    2.297400       3.640600       2.082000    
 H    3.048800      -2.211600       3.135600    
 H    4.638300      -4.492500     -0.1406000    
 H    4.465300      -4.067300       2.297200    


%chk=000047753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047753

0 1
S 1.767011 4.174312 -0.103349
O -0.311644 -2.273326 -1.002214
O -3.337275 1.996847 0.698709
O 2.206669 3.960418 1.689042
O 2.267132 -0.951110 -2.400387
O 3.118401 4.138705 -0.983239
O 0.759821 5.449119 -0.215736
N -1.291801 3.595787 0.443556
C -0.374757 0.053523 -0.396981
C -1.167908 1.178415 -0.002653
C 1.001639 0.183337 -0.711814
C -0.566269 2.501437 0.087746
C 0.829390 2.565338 -0.248994
C -2.430033 -1.470405 -0.190369
C -3.200561 -0.351546 0.232547
C -0.999811 -1.303302 -0.550610
C -2.598911 1.008746 0.325186
C 1.591496 1.469028 -0.645913
C 1.902428 -0.952155 -1.187555
C -3.029305 -2.751528 -0.277959
C -4.566640 -0.526605 0.563666
C 2.472349 -1.904292 -0.184462
C -4.387232 -2.918649 0.056754
C -5.156615 -1.803598 0.478266
C 2.279814 -1.731475 1.211253
C 3.257455 -2.991235 -0.653416
C 2.862369 -2.635230 2.125315
C 3.834892 -3.894182 0.259584
C 3.638550 -3.718712 1.651947
H 2.645321 1.607787 -0.912028
H -2.413113 -3.592474 -0.610513
H -5.139380 0.349493 0.881634
H -0.866667 4.530751 0.401030
H -2.286562 3.427692 0.668685
H -4.850158 -3.908628 -0.009661
H -6.212680 -1.935484 0.736061
H 1.687590 -0.887995 1.583922
H 3.395381 -3.104228 -1.733703
H 2.757477 4.750267 1.966018
H 2.716104 -2.495237 3.201877
H 4.436035 -4.733708 -0.106199
H 4.090098 -4.420596 2.362156


