%chk=000020943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020943

0 1
 S   -1.872200      -1.462600      -1.787300    
 S    4.621400     -0.6167000     -0.4386000    
 O   -1.426200      -1.561800       2.594800    
 O   -4.604600       1.467400      0.7531000    
 O   -2.482100       1.934200       1.441000    
 O    2.201700      -2.466600      -1.213400    
 N   -1.552600     -0.3874000      0.5515000    
 N    1.314100      -1.735200      0.8034000    
 C  -0.6860000     -0.8387000     -0.5413000    
 C   -3.150100     -0.2182000      -1.250200    
 C   -2.951800     -0.1289000      0.2783000    
 C  -0.1019000      -1.869700      0.4341000    
 C   -1.082200      -1.282000       1.468800    
 C   -2.881000       1.090700      -2.004900    
 C   -4.540600     -0.7498000      -1.602100    
 C   -3.283900       1.194800      0.8899000    
 C    2.357200      -2.050400     -6.6399999E-02
 C    3.728400      -1.852600      0.5338000    
 C    3.557200      0.8138000     -0.2707000    
 C    3.296300       1.334400      0.9922000    
 C    2.998900       1.393900      -1.404500    
 C    2.467000       2.448500       1.122800    
 C    2.169500       2.507800      -1.274000    
 C    1.903600       3.035100     -1.0300000E-02
 H  -1.0100000E-02 -5.1500000E-02 -0.8878000    
 H   -3.531800     -0.8969000      0.8077000    
 H  -0.3377000      -2.916900      0.2054000    
 H   -2.905800      0.9391000      -3.090800    
 H   -3.642700       1.844400      -1.776400    
 H   -1.907300       1.524100      -1.749800    
 H   -4.650400     -0.9034000      -2.682100    
 H   -4.749300      -1.704900      -1.106200    
 H   -5.322200     -4.6200000E-02  -1.296400    
 H    1.554700      -1.398600       1.732600    
 H   -4.842800       2.333400       1.147500    
 H    4.263200      -2.806300      0.4857000    
 H    3.680700      -1.553700       1.584500    
 H    3.729900      0.8974000       1.887800    
 H    3.193900      0.9948000      -2.396600    
 H    2.260300       2.859500       2.106600    
 H    1.729400       2.963700      -2.156000    
 H    1.257000       3.901700      9.1300003E-02


%chk=000020943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020943

0 1
S -2.207039 -2.056284 -1.703117
S 4.180778 -0.300927 -0.979035
O -1.182958 -0.945170 2.488850
O -4.289022 2.069117 0.117641
O -2.038728 2.499398 -0.279662
O 2.095109 -3.460764 -0.673234
N -1.497105 -0.300542 0.166358
N 1.395580 -1.548165 0.454495
C -0.793192 -1.113842 -0.857267
C -3.338748 -0.482424 -1.468965
C -2.860929 0.152398 -0.080032
C -0.016429 -1.834302 0.318640
C -0.949043 -1.002362 1.269894
C -3.096520 0.461989 -2.666300
C -4.804915 -0.941442 -1.391396
C -2.960447 1.680851 -0.096695
C 2.373774 -2.372276 -0.090080
C 3.802324 -1.857508 0.076975
C 3.350292 1.005863 0.037864
C 3.937063 1.461079 1.243986
C 2.132378 1.569318 -0.417488
C 3.288513 2.463218 2.002834
C 1.483344 2.568903 0.346340
C 2.061729 3.012710 1.558406
H -0.183632 -0.565934 -1.589273
H -3.519792 -0.215382 0.728529
H -0.191166 -2.921420 0.342497
H -3.331686 -0.064443 -3.605773
H -3.750256 1.353380 -2.600982
H -2.048676 0.804616 -2.719306
H -5.122236 -1.397418 -2.345644
H -4.953617 -1.682258 -0.586837
H -5.458099 -0.071766 -1.192630
H 1.672118 -0.640676 0.839616
H -4.355438 3.062571 0.105697
H 4.500293 -2.622945 -0.292168
H 4.036319 -1.610162 1.125953
H 4.893291 1.042568 1.576505
H 1.695437 1.219277 -1.358517
H 3.741748 2.813211 2.936767
H 0.521535 2.968155 0.007410
H 1.557146 3.779492 2.156142


