%chk=000006087.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006087

0 1
 S   -1.567700       1.573500      0.4355000    
 O   -1.727200      -2.667300     -0.7486000    
 O   -5.645000     -3.5799999E-02  -1.378700    
 O   -5.192500      -1.457200      0.3449000    
 O    1.962500     -0.6125000       2.062600    
 O    2.237200       2.315000      0.4677000    
 O    3.490200      -2.218900     -0.4830000    
 N   -2.622200     -0.7957000      0.3767000    
 N   0.5486000     -0.6410000      0.2271000    
 C   -1.725900     -5.0000001E-02   1.265200    
 C   -3.296200       1.437000     -0.2455000    
 C   -3.443400     -6.5600000E-02 -0.5677000    
 C  -0.6479000      -1.095800      0.9491000    
 C   -1.710200      -1.756600      4.8000000E-02
 C   -4.267100       1.957400      0.8231000    
 C   -3.401400       2.291500      -1.509900    
 C   -4.832000     -0.6100000     -0.4585000    
 C    1.753500     -0.4413000      0.8644000    
 C    2.857500      4.5000002E-02 -2.6000000E-03
 C    3.039700       1.406000     -0.1547000    
 C    3.670900     -0.8764000     -0.6335000    
 C    4.075600       1.863300     -0.9695000    
 C    4.706600     -0.4190000      -1.448300    
 C    4.909000      0.9508000      -1.616200    
 C    2.639500       2.753500       1.763500    
 C    4.187800      -2.850100      0.5887000    
 H   -2.079100     -2.3200000E-02   2.300000    
 H   -3.068900     -0.3030000      -1.572700    
 H  -0.3956000      -1.738200       1.802200    
 H   -4.248700       1.346900       1.732900    
 H   -4.032700       2.990200       1.108100    
 H   -5.298700       1.960900      0.4540000    
 H   -3.203400       3.348900      -1.297800    
 H   -2.692500       1.967500      -2.280900    
 H   -4.405000       2.233200      -1.944600    
 H   0.4953000     -0.4531000     -0.7716000    
 H   -6.562000     -0.3793000      -1.322700    
 H    4.238800       2.928900      -1.105800    
 H    5.359500      -1.123800      -1.956100    
 H    5.715200       1.306900      -2.250700    
 H    1.839000       3.372000       2.178600    
 H    3.547100       3.360900       1.689600    
 H    2.812000       1.908400       2.436200    
 H    3.865700      -3.893800      0.6383000    
 H    3.964700      -2.370300       1.546000    
 H    5.266200      -2.826300      0.4027000    


%chk=000006087-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006087

0 1
S -1.651043 1.550731 0.732872
O -1.710338 -1.650156 -2.155116
O -6.100495 0.218699 -1.018977
O -5.454618 -1.328583 0.595061
O 1.844656 -2.008533 1.229849
O 1.971120 1.726166 -0.412219
O 4.320389 -2.512535 0.004076
N -2.685474 -0.763793 -0.111166
N 0.656813 -0.573848 -0.153938
C -1.717009 -0.342884 0.932756
C -3.551445 1.527077 0.287981
C -3.762693 0.147421 -0.492625
C -0.602965 -1.176478 0.179880
C -1.677694 -1.306901 -0.963340
C -4.350794 1.593895 1.607527
C -3.853619 2.728619 -0.624676
C -5.150991 -0.435264 -0.215268
C 1.845189 -1.047744 0.397563
C 3.117483 -0.364506 -0.043473
C 3.194603 1.028195 -0.371687
C 4.334490 -1.112188 -0.094579
C 4.428449 1.661271 -0.643805
C 5.571364 -0.483839 -0.376633
C 5.615606 0.898193 -0.633905
C 1.984598 3.173871 -0.641782
C 4.675947 -3.089966 1.317232
H -1.955217 -0.613495 1.969801
H -3.694413 0.337494 -1.580434
H -0.397476 -2.130492 0.696501
H -4.153157 0.722975 2.255751
H -4.076214 2.505980 2.162747
H -5.438275 1.632374 1.402811
H -3.695195 3.680304 -0.087306
H -3.211660 2.723051 -1.522789
H -4.909291 2.690192 -0.951018
H 0.684849 0.311857 -0.671241
H -7.003864 -0.158276 -0.836404
H 4.470927 2.728377 -0.875771
H 6.472052 -1.102975 -0.426300
H 6.571502 1.385170 -0.854537
H 0.929155 3.476365 -0.578377
H 2.388049 3.415339 -1.643394
H 2.572233 3.691968 0.138726
H 4.746952 -4.174708 1.146171
H 3.872986 -2.866779 2.039538
H 5.651328 -2.698139 1.669415


