%chk=000032089.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032089

0 1
 S    1.224200      0.3707000      -1.852700    
 O    1.016800       1.581700      -2.629100    
 O    1.886200     -0.7724000      -2.456100    
 O   0.3680000      9.3999999E-03   2.485200    
 N   -4.806200       1.148900      0.5417000    
 C  -0.3821000     -0.1433000      -1.308500    
 C   -1.199100      0.9548000     -0.6363000    
 C  -0.2196000      -1.419000     -0.5296000    
 C   -2.631400      0.4966000     -0.3813000    
 C    2.233900      0.8368000     -0.4793000    
 C   0.3936000      -1.477200      0.7234000    
 C   -3.434000       1.590000      0.3217000    
 C    1.983100      0.5436000      0.8631000    
 C   0.8746000     -0.2733000       1.402600    
 C  -0.6916000      -2.622300      -1.084800    
 C    3.356900       1.608100     -0.8278000    
 C   0.5151000      -2.688800       1.417800    
 C    2.862300       1.051300       1.839500    
 C  -0.5618000      -3.834800     -0.4040000    
 C   4.1099999E-02  -3.867400      0.8489000    
 C    4.221300       2.095400      0.1497000    
 C    3.971600       1.819900       1.486400    
 C   -5.448600      0.8093000     -0.7291000    
 C   -5.574400       2.182100       1.238600    
 H  -0.8931000     -0.3781000      -2.254200    
 H  -0.7507000       1.304600      0.2963000    
 H   -1.228200       1.835800      -1.290700    
 H   -3.058600      0.2399000      -1.356100    
 H   -2.644400     -0.4092000      0.2363000    
 H   -2.959000       1.807800       1.286800    
 H   -3.404700       2.514400     -0.2705000    
 H   -1.170200      -2.625200      -2.061800    
 H    3.573400       1.841800      -1.867900    
 H   0.9808000      -2.724200       2.399600    
 H    2.705600      0.8417000       2.896000    
 H  -0.9343000      -4.751100     -0.8525000    
 H   0.1392000      -4.808000       1.382400    
 H    5.084400       2.690300     -0.1336000    
 H    4.639600       2.196100       2.255500    
 H   -5.081700     -0.1395000      -1.132300    
 H   -5.333100       1.596700      -1.483000    
 H   -6.524000      0.6498000     -0.5815000    
 H   -6.587400       1.827200       1.458800    
 H   -5.650900       3.105800      0.6534000    
 H   -5.111600       2.421300       2.202600    


%chk=000032089-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032089

0 1
S 1.363360 0.059165 -1.963936
O 1.146433 1.269712 -3.050074
O 2.217796 -1.258844 -2.405796
O 0.988142 -0.644821 2.757532
N -4.795813 1.408617 0.372251
C -0.424561 -0.510874 -1.285140
C -1.117165 0.691371 -0.635642
C -0.176675 -1.762278 -0.499666
C -2.641065 0.437927 -0.502815
C 2.179480 0.883421 -0.439725
C 0.540693 -1.795454 0.735526
C -3.341174 1.622318 0.198757
C 1.985829 0.490863 0.908767
C 1.132016 -0.626095 1.493178
C -0.685214 -2.974618 -1.032130
C 2.997519 1.962641 -0.818958
C 0.683728 -3.040946 1.408876
C 2.700214 1.253523 1.884010
C -0.515644 -4.204223 -0.365517
C 0.174691 -4.236049 0.866494
C 3.698237 2.682663 0.171432
C 3.546697 2.318500 1.529407
C -5.556403 1.505037 -0.890297
C -5.369145 2.277169 1.421625
H -0.904568 -0.741365 -2.253978
H -0.694211 0.909824 0.361805
H -0.949878 1.584663 -1.270876
H -3.069090 0.280446 -1.511994
H -2.835866 -0.479596 0.082609
H -2.897937 1.741059 1.206601
H -3.121971 2.568786 -0.364790
H -1.224230 -2.944664 -1.985732
H 3.052180 2.242005 -1.876965
H 1.208933 -3.050897 2.368409
H 2.555708 0.971631 2.931665
H -0.914290 -5.125188 -0.803418
H 0.319052 -5.182060 1.398331
H 4.343171 3.519762 -0.114975
H 4.081015 2.869107 2.310486
H -5.192868 0.762448 -1.620682
H -5.491651 2.518268 -1.364773
H -6.621313 1.286401 -0.695279
H -6.432201 2.018556 1.575583
H -5.313823 3.369167 1.178283
H -4.837137 2.110926 2.375125


