%chk=000105080.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105080

0 1
 S    3.135100       3.505100     -7.6700002E-02
 S   -5.451500       1.663700     -0.5513000    
 O    3.845400     -0.5984000     -0.9723000    
 O    1.931200     -0.3554000      -2.295500    
 O    3.129600       2.021900     -0.7603000    
 O   -2.399700     -0.7241000      0.2881000    
 O    4.218200       4.335200     -0.9706000    
 O    1.830800       4.096600     -0.3103000    
 O    3.657000       3.401100       1.273300    
 O   -4.596200      -1.282500     -8.8399999E-02
 O   -6.099200       1.976700      0.9127000    
 O   -5.222500       2.934800      -1.213000    
 O   -6.273500      0.6496000      -1.185000    
 N    1.679300     -0.5635000       1.276500    
 N   0.5184000      -2.758300      -1.278000    
 N    2.441000      -2.612800     -6.9399998E-02
 N  -0.3477000      -1.541800       2.077000    
 N   0.9506000     -0.2258000       3.461300    
 N    1.996200      -4.560200      -1.396800    
 N   -3.937100      0.9585000     -0.1810000    
 C    1.705600      -1.296100     -5.0000002E-04
 C   0.2462000      -1.644100     -0.3945000    
 C    2.445500     -0.3062000     -0.9765000    
 C    2.194400       1.054100     -0.3259000    
 C    2.347900      0.7346000       1.153000    
 C  -0.5853000      -2.195600      0.7878000    
 C   0.7176000     -0.8217000       2.242200    
 C    1.715300      -3.318100     -0.9125000    
 C   -2.080200      -2.088300      0.4840000    
 C   -3.712300     -0.4392000      2.7000001E-03
 H  -0.2451000     -0.8151000     -0.9130000    
 H    1.179100       1.401900     -0.5566000    
 H    3.396400      0.6506000       1.460500    
 H    1.870300       1.510300       1.760400    
 H  -0.3697000      -3.261700      0.9415000    
 H  -0.2120000      -3.249300      -1.780000    
 H   -2.664400      -2.484300       1.323700    
 H   -2.324900      -2.660000     -0.4190000    
 H    3.950100      -1.564200     -0.9677000    
 H    1.797800      -1.286700      -2.535400    
 H   0.2997000     -0.3452000       4.230000    
 H    1.808300      0.2775000       3.658200    
 H    1.366200      -5.032900      -2.035600    
 H    2.851900      -5.042700      -1.144800    
 H    5.074000       3.873000      -1.131800    
 H   -3.139700       1.593200     -4.8500001E-02
 H   -6.192800       1.196100       1.507800    


%chk=000105080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105080

0 1
S 0.963320 3.811744 0.302314
S -2.499555 2.484731 -1.909978
O 2.412246 -0.007811 -1.643601
O 0.033758 0.033086 -1.606949
O 1.890137 2.251811 -0.232772
O -1.841736 -0.233909 1.131591
O 0.626093 4.491220 -1.284943
O -0.418880 3.340538 1.033765
O 1.939688 4.813890 1.058950
O -3.001141 -0.455434 -0.861577
O -3.241689 1.216498 -2.672406
O -3.354166 3.810993 -1.666269
O -0.936381 2.691031 -2.385401
N 1.567208 -1.030394 1.361446
N 0.464670 -3.590614 -0.672006
N 2.343703 -2.284003 -0.615321
N 0.037660 -2.544132 2.456006
N 1.716581 -1.459282 3.674221
N 2.532046 -4.475639 -1.530262
N -2.255745 1.644628 -0.133792
C 1.248700 -1.458745 -0.016682
C -0.069281 -2.325984 -0.118204
C 1.249866 -0.068672 -0.822813
C 1.334280 1.009870 0.300738
C 2.180670 0.317064 1.389513
C -0.799401 -2.567748 1.244806
C 1.066549 -1.712967 2.470929
C 1.810776 -3.460549 -0.952815
C -2.078961 -1.708348 1.401747
C -2.369047 0.318083 0.018344
H -0.746224 -1.852497 -0.851315
H 0.320865 1.181268 0.705655
H 3.247026 0.302029 1.098603
H 2.062718 0.772514 2.385089
H -1.220541 -3.596608 1.197493
H -0.125282 -4.381108 -0.920726
H -2.408057 -1.728196 2.451709
H -2.875692 -2.046968 0.719469
H 2.797423 -0.961724 -1.580056
H 0.107118 0.811517 -2.225112
H 1.308398 -1.890020 4.501802
H 2.705202 -1.216960 3.684775
H 2.113704 -5.359800 -1.802005
H 3.525594 -4.325534 -1.682749
H -0.010885 3.835461 -1.796920
H -1.679909 2.246740 0.501756
H -3.228125 0.119231 -1.756247


