%chk=000001944.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001944

0 1
 S    4.228700      -1.135900     -0.6622000    
 O    5.006200      -1.703600      0.4281000    
 O    4.284700      -1.747000      -1.980600    
 O   -2.509100      0.1464000     -0.8031000    
 O    5.423900       3.325700       1.317800    
 O    6.297700       2.657100     -0.6732000    
 N   -1.476300     -0.9739000      0.9835000    
 N    4.608800      0.5222000     -0.8064000    
 C    2.543300      -1.087900     -0.1760000    
 C    1.595500     -0.4860000      -1.003700    
 C    2.151400      -1.651600       1.038200    
 C  -0.1170000      -1.012400      0.5914000    
 C   0.2559000     -0.4479000     -0.6172000    
 C   0.8116000      -1.613700       1.424700    
 C    1.977900      0.1273000      -2.311500    
 C    3.138300      -2.304400       1.950700    
 C   -3.848500     -0.5895000       1.060600    
 C   -5.052100     -7.5700000E-02  0.3410000    
 C   -2.545600     -0.4180000      0.2856000    
 C    4.483800       1.409300      0.3590000    
 C   -5.473600       1.244600      0.4991000    
 C   -5.758500     -0.9375000     -0.4980000    
 C   -6.601600       1.703000     -0.1816000    
 C   -4.733300       2.185600       1.392000    
 C   -6.886400     -0.4791000      -1.178800    
 C   -7.308000      0.8412000      -1.020400    
 C    5.502100       2.501700      0.2410000    
 H  -0.4315000      3.2900002E-02  -1.296500    
 H   0.4973000      -2.050000       2.369500    
 H    2.521900       1.063400      -2.171600    
 H    1.082100      0.3939000      -2.887200    
 H    2.526800     -0.5551000      -2.961500    
 H    2.619500      -2.724900       2.823000    
 H    3.841800      -1.582700       2.376900    
 H    3.619700      -3.170100       1.485300    
 H   -1.679700      -1.406500       1.882000    
 H    4.610300      0.9642000      -1.733300    
 H   -3.738800     -0.1258000       2.047600    
 H   -3.978400      -1.662000       1.261800    
 H    4.666100      0.8591000       1.286100    
 H    3.485100       1.855000      0.3650000    
 H   -5.440600      -1.968100     -0.6330000    
 H   -6.944200       2.728200     -6.8899997E-02
 H   -5.115500       3.208800       1.302700    
 H   -3.671000       2.224300       1.130400    
 H   -4.843800       1.888500       2.439800    
 H   -7.436200      -1.149800      -1.832500    
 H   -8.186400       1.197800      -1.550500    
 H    6.079900       4.053600       1.269600    


%chk=000001944-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001944

0 1
S 3.579406 0.232794 -1.267329
O 4.059580 -1.316811 -1.483848
O 3.763429 1.300174 -2.482465
O -2.497817 2.816522 1.265124
O 7.781472 -0.782365 1.162561
O 7.416916 1.134441 -0.107279
N -2.180663 0.540965 0.766847
N 4.622822 0.904473 0.211203
C 1.793890 0.299268 -0.604196
C 1.314418 1.579664 -0.212580
C 1.006354 -0.885327 -0.573057
C -0.837957 0.513212 0.313210
C -0.018195 1.666902 0.251922
C -0.317685 -0.737996 -0.100913
C 2.146051 2.847578 -0.253054
C 1.449864 -2.270164 -1.012672
C -4.364626 1.276113 1.675276
C -4.936389 -0.039260 1.171402
C -2.932522 1.630410 1.205652
C 5.498011 -0.146861 0.770170
C -5.415862 -0.166296 -0.171260
C -4.986184 -1.163145 2.036641
C -5.925850 -1.419244 -0.594775
C -5.391495 1.011244 -1.129907
C -5.496985 -2.405987 1.599613
C -5.969201 -2.533247 0.274636
C 6.970716 0.161724 0.538628
H -0.424322 2.630226 0.564940
H -0.956228 -1.629400 -0.065128
H 2.989824 2.772629 0.456403
H 1.529738 3.716707 0.024599
H 2.572076 3.018632 -1.257012
H 0.605682 -2.974432 -0.925408
H 2.290343 -2.646590 -0.406311
H 1.809212 -2.278700 -2.055211
H -2.681396 -0.354731 0.759351
H 5.195699 1.645003 -0.254697
H -4.988151 2.137964 1.379255
H -4.335010 1.282197 2.781788
H 5.272740 -1.129026 0.294700
H 5.319849 -0.256165 1.855019
H -4.629275 -1.056520 3.068751
H -6.297275 -1.520498 -1.621480
H -5.781542 0.723570 -2.120488
H -4.368277 1.406878 -1.273670
H -6.007398 1.852368 -0.757822
H -5.531476 -3.258887 2.285953
H -6.371784 -3.488780 -0.079168
H 8.739673 -0.566528 1.000786


