%chk=000062922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062922

0 1
 S   -1.822300      0.8900000      -2.389400    
 O   -1.897400       1.583100       2.209700    
 O    1.862900       1.871700      -1.552800    
 O   -3.691800      -1.708700       1.894700    
 O   -4.976400      0.1574000       1.581700    
 N   -2.137100      0.3781000      0.1967000    
 N   0.8473000       1.465300      0.4918000    
 N    4.282900       2.212100     -0.2650000    
 C   -1.081500      0.4682000     -0.7959000    
 C  -0.5297000       1.645100      3.8100000E-02
 C   -1.601000       1.238100       1.089700    
 C   -3.240700     -0.4007000      5.6499999E-02
 C   -2.842300     -0.6226000      -2.440200    
 C   -3.585700     -0.9289000      -1.141900    
 C    1.948800       1.596000     -0.3572000    
 C   -4.748100      -1.867400      -1.362900    
 C   -4.079200     -0.5909000       1.249400    
 C    3.276900       1.339300      0.3468000    
 C    3.656900     -0.1247000      0.2656000    
 C    4.407300     -0.6842000       1.284400    
 C    3.245300     -0.8687000     -0.8257000    
 C    4.757700      -2.032200       1.209500    
 C    3.595600      -2.216800     -0.9006000    
 C    4.351800      -2.798500      0.1170000    
 H  -0.4453000     -0.4257000     -0.8106000    
 H  -0.7014000       2.653100     -0.3580000    
 H    1.025900       1.224100       1.463900    
 H   -2.205100      -1.473700      -2.704300    
 H   -3.561700     -0.4787000      -3.253300    
 H   -4.396700      -2.798200      -1.820400    
 H   -5.483600      -1.407400      -2.031000    
 H   -5.266300      -2.135700     -0.4382000    
 H    3.168800       1.634500       1.398000    
 H    4.429300       1.947000      -1.238500    
 H    5.178600       2.085700      0.2048000    
 H   -4.227500      -1.874700       2.699600    
 H    4.728900     -9.4700001E-02   2.138000    
 H    2.675000     -0.4558000      -1.649600    
 H    5.347000      -2.485100       2.001400    
 H    3.283800      -2.813000      -1.753300    
 H    4.625700      -3.847900      5.7999998E-02


%chk=000062922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062922

0 1
S -2.082509 0.960368 -2.506172
O -1.528861 1.208679 2.107565
O 1.826337 2.895077 -1.018131
O -2.730567 -1.526660 2.215303
O -4.979717 -1.339648 1.662946
N -1.977915 -0.079124 0.071038
N 1.098742 0.970017 0.066405
N 4.436987 2.175006 -0.805234
C -1.096766 0.190144 -1.085147
C -0.301069 1.211484 -0.194088
C -1.323978 0.844608 0.940199
C -3.247584 -0.704417 0.037964
C -3.383175 -0.421631 -2.497295
C -3.923433 -0.882616 -1.151702
C 2.080503 1.857429 -0.338015
C -5.248292 -1.608164 -1.270611
C -3.774539 -1.196420 1.345865
C 3.528130 1.541771 0.149567
C 3.791990 0.039017 0.307564
C 3.625509 -0.595312 1.565013
C 4.182436 -0.737209 -0.812329
C 3.829266 -1.989350 1.699531
C 4.385718 -2.127492 -0.679181
C 4.205568 -2.759669 0.575639
H -0.541670 -0.688862 -1.447730
H -0.412583 2.253724 -0.542121
H 1.384341 0.126388 0.571833
H -2.964778 -1.287740 -3.045175
H -4.213627 -0.022659 -3.106794
H -5.268290 -2.217847 -2.194127
H -6.076201 -0.875812 -1.344641
H -5.467914 -2.247275 -0.403793
H 3.568711 1.994267 1.174634
H 4.028957 2.999934 -1.257998
H 5.396427 2.294066 -0.476596
H -3.109139 -1.755914 3.106196
H 3.355575 0.003079 2.445579
H 4.340869 -0.220846 -1.765078
H 3.703900 -2.467628 2.677360
H 4.689472 -2.720448 -1.549566
H 4.368768 -3.838413 0.677823


