%chk=000090724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090724

0 1
 S   -1.844400      8.5600004E-02 -0.6635000    
 S   -3.730000     -0.4594000      6.9499999E-02
 O   -4.243500      -1.611500     -0.9630000    
 O   -3.528900      -1.078800       1.365400    
 O   -4.600700      0.6911000     -7.6899998E-02
 N    3.235500      0.1075000     -0.1060000    
 N    1.009800      0.8023000      0.1981000    
 N    2.750100       2.300800     -0.4881000    
 C    3.030800      -1.278700      0.2407000    
 C    4.300200      -1.829800      0.8764000    
 C    2.648900      -2.064300      -1.007300    
 C    2.242900       1.073500     -0.1144000    
 C   5.2299999E-02   1.899700      0.1531000    
 C   -1.322900       1.362100      0.5158000    
 H    2.225600      -1.370400      0.9796000    
 H    4.162400      0.3673000     -0.4329000    
 H    4.166900      -2.876200       1.170300    
 H    5.150200      -1.776900      0.1866000    
 H    4.566700      -1.258200       1.772300    
 H    1.722500      -1.678400      -1.446500    
 H    2.493200      -3.121800     -0.7698000    
 H    3.429100      -1.999100      -1.774100    
 H   0.3257000       2.673100      0.8810000    
 H   2.1199999E-02   2.360000     -0.8426000    
 H   -1.308700      0.9248000       1.519700    
 H   -2.055300       2.175400      0.5082000    
 H    3.732700       2.414900     -0.7125000    
 H    2.170700       3.130400     -0.5477000    
 H   -4.301300      -1.335900      -1.907900    


%chk=000090724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090724

0 1
S -0.655588 -0.150146 0.057783
S -3.169928 -0.811656 0.111439
O -3.203747 -1.410898 -1.688921
O -3.703922 -2.080086 0.984885
O -4.078437 0.545499 0.202079
N 3.115177 0.109220 -0.320852
N 1.047971 1.169858 0.120013
N 2.921356 2.432804 -0.615144
C 2.726005 -1.239695 0.170404
C 3.941568 -1.891969 0.862249
C 2.174820 -2.119320 -0.976427
C 2.314235 1.227572 -0.267080
C 0.133190 2.315331 0.325556
C -1.138763 1.562874 0.773018
H 1.923895 -1.079108 0.912099
H 3.940897 0.156184 -0.921928
H 3.661440 -2.881796 1.262549
H 4.773000 -2.045962 0.146629
H 4.307617 -1.269670 1.697387
H 1.308044 -1.641698 -1.464399
H 1.845316 -3.096482 -0.581028
H 2.952576 -2.306015 -1.741946
H 0.506728 3.030958 1.084164
H -0.056119 2.861924 -0.622249
H -1.226128 1.476723 1.865373
H -2.089419 1.897654 0.333809
H 3.928741 2.554258 -0.537869
H 2.351468 3.252242 -0.807106
H -4.050290 -1.939499 -1.780989


