%chk=000033672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033672

0 1
 S   -3.228200     -0.3853000       2.001800    
 O   -2.383200     -0.2045000      -2.318500    
 O   -6.152000       2.206100     -0.6889000    
 O   -6.142400      0.1529000      -1.679100    
 O   0.3355000      -1.584700      -1.689100    
 O    3.149800      0.7766000      0.7286000    
 O    1.707300       1.094900      -1.080800    
 N   -3.861700     -0.5359000     -0.5090000    
 N  -0.8920000      -1.361300      0.2652000    
 C   -3.443900      -1.468100      0.5424000    
 C   -4.572800      0.7556000       1.402200    
 C   -4.391700      0.7586000     -0.1309000    
 C   -2.191600      -1.753100     -0.2981000    
 C   -2.770400     -0.7378000      -1.303600    
 C   -4.344200       2.147800       1.993600    
 C   -5.917700      0.1943000       1.883500    
 C   -5.642500      0.9718000     -0.9223000    
 C   0.2799000      -1.309900     -0.4914000    
 C    1.509600     -0.8955000      0.3164000    
 C    2.527300      -2.023100      0.3046000    
 C    2.110100      0.4302000     -0.1343000    
 C    2.475800      -2.982500       1.297100    
 C    3.476300      -2.058600     -0.6987000    
 C    3.410100      -4.018100       1.286200    
 C    4.410600      -3.094500     -0.7095000    
 C    4.377400      -4.074100      0.2830000    
 C    3.762300       1.985000      0.3899000    
 C    3.270700       3.151400      0.9332000    
 C    4.834200       1.964100     -0.4749000    
 C    3.882100       4.358500      0.5942000    
 C    5.445600       3.171200     -0.8138000    
 C    4.969500       4.368400     -0.2791000    
 H   -4.138000      -2.304100      0.6681000    
 H   -3.660400       1.513100     -0.4511000    
 H   -2.160000      -2.772900     -0.6996000    
 H   -4.379100       2.129400       3.089400    
 H   -3.373200       2.561800       1.697500    
 H   -5.114100       2.851100       1.659200    
 H   -6.136100     -0.7883000       1.450400    
 H   -5.941100      9.1799997E-02   2.975200    
 H   -6.744900      0.8601000       1.613800    
 H  -0.8360000      -1.122000       1.252100    
 H    1.198200     -0.7154000       1.355400    
 H   -6.974700       2.365400      -1.198800    
 H    1.724800      -2.947900       2.080700    
 H    3.512000      -1.317200      -1.490800    
 H    3.383900      -4.781400       2.058400    
 H    5.161600      -3.140400      -1.492700    
 H    5.104200      -4.881100      0.2738000    
 H    2.424800       3.143600       1.613400    
 H    5.205200       1.032400     -0.8904000    
 H    3.511400       5.290600       1.010600    
 H    6.292400       3.178900      -1.493900    
 H    5.445600       5.308200     -0.5430000    


%chk=000033672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033672

0 1
S -2.763757 -0.244133 1.802350
O -1.387960 1.702980 -1.739066
O -5.950200 2.920945 -0.326947
O -6.012390 0.895023 -1.472767
O 0.535623 -2.663284 -1.372077
O 2.067510 0.708696 0.605500
O 3.717707 -0.224117 -0.788022
N -3.234282 0.493345 -0.717525
N -0.245453 -0.865665 -0.110541
C -2.857911 -0.767690 -0.021453
C -4.258650 0.976363 1.491399
C -4.070083 1.469758 -0.019316
C -1.494564 -0.749938 -0.816289
C -1.934182 0.699427 -1.247674
C -4.136158 2.153789 2.473850
C -5.566930 0.184086 1.703060
C -5.421593 1.677633 -0.707730
C 0.716997 -1.801733 -0.472773
C 2.037537 -1.676801 0.365946
C 2.929967 -2.900972 0.263674
C 2.745462 -0.370632 -0.036216
C 3.216292 -3.646332 1.433536
C 3.479093 -3.317064 -0.974195
C 4.040671 -4.792606 1.373578
C 4.302907 -4.460984 -1.034577
C 4.586724 -5.202366 0.136347
C 2.488976 2.063019 0.333692
C 1.661898 2.864329 -0.476536
C 3.661924 2.554763 0.937524
C 2.030165 4.214927 -0.677999
C 4.016422 3.905444 0.722638
C 3.201643 4.736804 -0.081461
H -3.529310 -1.625658 -0.155731
H -3.545419 2.443626 -0.015569
H -1.488122 -1.474449 -1.648986
H -4.250874 1.809157 3.516440
H -3.158856 2.657962 2.378924
H -4.932360 2.892606 2.266752
H -5.665430 -0.654307 0.992197
H -5.589304 -0.228233 2.725201
H -6.446300 0.845800 1.582312
H 0.010913 -0.143041 0.570301
H 1.721921 -1.536600 1.416743
H -6.832755 3.057584 -0.767352
H 2.793163 -3.332298 2.396464
H 3.260721 -2.751390 -1.883748
H 4.253708 -5.360602 2.285984
H 4.722547 -4.775787 -1.996343
H 5.226489 -6.090620 0.084221
H 0.763034 2.448208 -0.944507
H 4.281315 1.896439 1.554400
H 1.400135 4.852939 -1.306835
H 4.927193 4.304444 1.181903
H 3.480487 5.783305 -0.245100


