%chk=000086426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086426

0 1
 S   -3.496900      -1.927600     -0.3865000    
 S   -1.662100      0.6120000      -2.094900    
 O   -4.357700      -1.778600      -1.555400    
 O   -2.225500      -2.638900     -0.4847000    
 O   -2.240500       1.747100      -2.799000    
 O   -1.814900     -0.7394000      -2.615700    
 O   0.4766000     -0.9034000     -0.4860000    
 O    4.057200      -2.662900       1.691500    
 O    6.702300      0.8899000      2.7000001E-03
 N   -2.447700       1.709800      0.3227000    
 N   -3.594900      0.1052000       1.377300    
 N   8.7000001E-03  0.9194000      -1.847700    
 N    2.172800      0.6018000      -1.044600    
 N    3.103800      -1.045300      0.3306000    
 N    4.448500      0.7607000     -0.5280000    
 C   -2.450400      0.6223000     -0.5123000    
 C   -3.160000     -0.3468000      0.1573000    
 C   -3.158700       1.345200       1.463100    
 C   -4.445700      -2.687600      0.9203000    
 C   -1.872300       2.964500      0.1419000    
 C   -3.289700       2.329200       2.486800    
 C   -4.822200      -4.111300      0.5763000    
 C   -2.000500       3.886000       1.110300    
 C   -2.735500       3.545300       2.318000    
 C   0.8826000      0.1010000      -1.057800    
 C    3.303800      7.6800004E-02 -0.3776000    
 C    4.203100      -1.518100      0.9537000    
 C    5.506600      0.2323000      0.1214000    
 C    5.442700     -0.9158000      0.8841000    
 C    2.757400      -3.240500       1.727800    
 C    6.709300       2.067600     -0.7957000    
 H   -3.836600      -2.667100       1.829000    
 H   -5.345700      -2.084400       1.072500    
 H   -1.331300       3.175400     -0.7706000    
 H   -3.835500       2.086600       3.391700    
 H   0.3951000       1.771500      -2.272500    
 H   -3.932100      -4.728200      0.4160000    
 H   -5.424000      -4.151100     -0.3373000    
 H   -5.404500      -4.558100       1.387800    
 H   -1.570800       4.876000       1.019100    
 H   -2.824500       4.306600       3.085400    
 H    2.349600       1.451700      -1.573000    
 H    6.308600      -1.317700       1.394800    
 H    2.034700      -2.553100       2.180200    
 H    2.805000      -4.138200       2.351200    
 H    2.433500      -3.541900      0.7259000    
 H    6.042000       2.829000     -0.3782000    
 H    6.441400       1.840300      -1.833000    
 H    7.726100       2.471400     -0.7909000    


%chk=000086426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086426

0 1
S -1.878065 -0.951141 -2.016233
S -1.908370 2.817198 -1.257552
O -3.159110 -1.300407 -2.947711
O -0.599011 -0.143992 -2.695430
O -2.106075 4.162891 -0.386973
O -2.611988 2.647652 -2.702025
O 0.491836 2.402831 0.705980
O 4.732136 0.791971 2.450538
O 3.729426 -3.194320 0.022137
N -2.834561 1.480230 1.154089
N -2.888204 -0.750211 0.582993
N -0.109960 2.426182 -1.571097
N 1.291269 0.732862 -0.801754
N 3.022435 0.814818 0.827679
N 2.464342 -1.229310 -0.371720
C -2.361918 1.367049 -0.165210
C -2.411855 -0.003752 -0.458699
C -3.156089 0.150731 1.580971
C -1.151944 -2.595557 -1.242303
C -2.970442 2.579790 1.996738
C -3.659842 -0.050440 2.890376
C -1.086407 -3.637082 -2.351541
C -3.464158 2.367326 3.275842
C -3.817157 1.054240 3.729648
C 0.583984 1.894265 -0.438859
C 2.302768 0.098466 -0.066657
C 3.988623 0.128439 1.502924
C 3.471122 -1.865561 0.294966
C 4.275558 -1.236040 1.270497
C 4.413723 2.226244 2.668045
C 2.917884 -3.844512 -1.026490
H -0.174126 -2.261647 -0.855010
H -1.859452 -2.822836 -0.429605
H -2.665247 3.545812 1.590301
H -3.904842 -1.068662 3.200358
H -0.107361 1.868043 -2.449615
H -0.369677 -3.353301 -3.140489
H -2.076743 -3.792976 -2.812828
H -0.759602 -4.598941 -1.913734
H -3.570598 3.229840 3.937892
H -4.204248 0.920215 4.743701
H 0.894643 0.187570 -1.592217
H 5.065658 -1.764939 1.801212
H 4.662949 2.812275 1.767996
H 5.047156 2.514048 3.519105
H 3.342763 2.355561 2.892640
H 2.980089 -3.283870 -1.974228
H 1.861209 -3.911913 -0.712731
H 3.358675 -4.846542 -1.127917


