%chk=000026950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026950

0 1
 S   0.8940000      -4.191500      0.4312000    
 O    1.968000      -1.831600      0.2899000    
 O   -3.966400      0.2879000     -0.5909000    
 N    4.988400       1.954100      0.2130000    
 C    3.592200       1.548600      0.1055000    
 C    3.465600      3.7599999E-02  0.2711000    
 C    2.018800     -0.4194000      0.1417000    
 C    5.810900       1.235100     -0.7616000    
 C    5.121700       3.399500      2.1199999E-02
 C  -0.4434000      -1.797900      2.2800000E-02
 C   0.8029000      -2.537500      0.2394000    
 C   -4.312300       1.278300      0.3762000    
 C   -5.128200       2.366500     -0.3046000    
 C   -2.807600     -0.3968000     -0.3893000    
 C  -0.8963000      -1.581700      -1.272800    
 C   -1.158700      -1.321700       1.114800    
 C   -2.083000     -0.8784000      -1.479700    
 C   -2.345400     -0.6185000      0.9079000    
 C   -5.521100       3.467300      0.6641000    
 H    3.004200       2.041300      0.8899000    
 H    3.165300       1.851500     -0.8599000    
 H    4.026400     -0.5165000     -0.4895000    
 H    3.865300     -0.2825000       1.242000    
 H    1.632300     -0.1381000     -0.8441000    
 H    1.416100      5.7500001E-02  0.9223000    
 H    6.816700       1.671300     -0.8060000    
 H    5.392900       1.270800      -1.774300    
 H    5.976000      0.1937000     -0.4682000    
 H    4.524700       3.942400      0.7626000    
 H    4.801600       3.715600     -0.9784000    
 H    6.161200       3.713800      0.1671000    
 H   -3.418900       1.747800      0.8087000    
 H   -4.900200      0.8090000       1.173500    
 H   -6.026900       1.926200     -0.7529000    
 H   -4.554000       2.791400      -1.136800    
 H  -0.3387000      -1.950400      -2.129500    
 H  -0.8091000      -1.492300       2.129600    
 H   -2.437900     -0.7083000      -2.492500    
 H   -2.892500     -0.2849000       1.784700    
 H   -4.636000       3.949600       1.091000    
 H   -6.109400       4.233300      0.1492000    
 H   -6.125900       3.069800       1.485400    


%chk=000026950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026950

0 1
S 0.704431 -3.427017 1.425665
O 1.942859 -1.699481 -0.145442
O -3.920656 1.143276 -0.547517
N 5.601723 1.646692 0.044524
C 4.309790 1.266660 -0.570990
C 3.762444 -0.078349 -0.042373
C 2.318661 -0.292988 -0.506960
C 6.697431 0.704359 -0.262515
C 5.970541 3.040432 -0.278541
C -0.447741 -1.161437 0.239077
C 0.740482 -2.019608 0.479147
C -4.950768 1.364048 0.490690
C -6.031723 2.250269 -0.130644
C -2.806213 0.370751 -0.220083
C -0.695504 -0.557006 -1.031336
C -1.419226 -0.989300 1.261599
C -1.861128 0.187678 -1.263175
C -2.581152 -0.224446 1.050316
C -7.163090 2.554841 0.875975
H 3.585184 2.071445 -0.333216
H 4.382383 1.217232 -1.692276
H 4.371635 -0.925193 -0.405959
H 3.809632 -0.082050 1.061211
H 2.238828 -0.200718 -1.606910
H 1.618719 0.417060 -0.030956
H 7.621114 1.043602 0.238812
H 6.909494 0.618780 -1.359806
H 6.459528 -0.301586 0.121295
H 5.164946 3.724028 0.044696
H 6.153527 3.212753 -1.370664
H 6.890597 3.316070 0.267146
H -4.488267 1.857776 1.370645
H -5.368991 0.386566 0.808753
H -6.440102 1.743343 -1.024460
H -5.565565 3.190706 -0.478726
H 0.006805 -0.714748 -1.856059
H -1.247931 -1.475171 2.227810
H -2.068185 0.630767 -2.241762
H -3.299256 -0.105437 1.866385
H -6.778544 3.084040 1.768103
H -7.933949 3.195446 0.413077
H -7.659461 1.627816 1.219244


