%chk=000043786.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043786

0 1
 S   7.3000002E-03 -0.9266000      -2.238300    
 O   0.5055000       1.472100      -1.334500    
 O   -2.816900      -1.426900      -1.041500    
 O   -1.735500      0.9444000       1.441600    
 O   -3.650500       1.033100       2.655100    
 N    1.658900     -0.2121000     -0.2200000    
 N   -2.926400      0.8892000     -0.8830000    
 C    2.347800      0.6578000      0.7258000    
 C    1.957400      -1.638300     -7.9400003E-02
 C    3.241400       1.688200      2.6300000E-02
 C   0.9983000      -2.342400      0.8869000    
 C    3.910700       2.629400       1.030500    
 C    4.305100      0.9771000     -0.8110000    
 C    1.288000      -3.842500      0.9770000    
 C    1.093800      -1.708600       2.275100    
 C   0.7751000      0.2813000      -1.193000    
 C   -1.562700     -0.1127000      -2.605900    
 C   -2.500400     -0.3064000      -1.437600    
 C   -3.814900      0.9609000      0.2546000    
 C   -3.081900      0.9832000       1.571300    
 H    2.941300      7.9099998E-02   1.440700    
 H    1.573700       1.195000       1.287100    
 H    2.993900      -1.744000      0.2678000    
 H    1.948400      -2.137600      -1.052600    
 H    2.649600       2.315000     -0.6487000    
 H  -3.4000002E-02  -2.222700      0.5369000    
 H    4.552300       2.077000       1.725400    
 H    3.157800       3.165700       1.617500    
 H    4.528400       3.373600      0.5167000    
 H    4.915400      0.3077000     -0.1949000    
 H    4.976900       1.704600      -1.279800    
 H    3.858000      0.3863000      -1.616700    
 H   0.5801000      -4.337500       1.649900    
 H    2.300400      -4.029000       1.350900    
 H    1.197900      -4.312400     -8.0000004E-03
 H    2.122500      -1.698700       2.649500    
 H   0.4957000      -2.282600       2.992800    
 H   0.6903000     -0.6935000       2.292400    
 H   -2.016200     -0.5997000      -3.475500    
 H   -1.418800      0.9398000      -2.864000    
 H   -2.587900       1.766400      -1.266700    
 H   -4.390400       1.885700      0.1589000    
 H   -4.483800      9.5299996E-02  0.2432000    
 H   -1.281500      0.9607000       2.311000    


%chk=000043786-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043786

0 1
S -0.370840 -1.206470 -1.680572
O 0.080345 1.354777 -0.746344
O -3.984115 -0.437842 -2.045895
O -2.610151 0.202466 1.734227
O -4.408597 1.484894 2.450485
N 1.608983 -0.243232 -0.009781
N -2.751488 1.135325 -0.831240
C 2.351769 0.809531 0.743360
C 2.073404 -1.652685 0.040981
C 3.259256 1.698229 -0.148725
C 1.311073 -2.552124 1.054242
C 3.891957 2.805206 0.726798
C 4.342856 0.876487 -0.882063
C 1.840502 -4.000123 0.934366
C 1.429885 -2.029292 2.503162
C 0.504058 0.155592 -0.714922
C -1.616607 -0.112104 -2.603706
C -2.892536 0.164081 -1.804086
C -3.854610 1.468617 0.054199
C -3.678627 1.079837 1.520043
H 2.961648 0.297842 1.510066
H 1.612617 1.451457 1.256498
H 3.147391 -1.634254 0.302607
H 1.993512 -2.093330 -0.972338
H 2.605024 2.178318 -0.901905
H 0.240199 -2.547804 0.769219
H 4.536177 2.369097 1.515351
H 3.118899 3.423877 1.219502
H 4.521099 3.476052 0.114316
H 5.030741 0.390780 -0.161726
H 4.950365 1.530325 -1.533907
H 3.895649 0.092021 -1.519221
H 1.294367 -4.672475 1.619951
H 2.915305 -4.054576 1.196836
H 1.718048 -4.393427 -0.091909
H 2.485431 -2.020046 2.839787
H 0.865276 -2.680513 3.195118
H 1.024985 -1.005540 2.599498
H -1.872911 -0.685991 -3.505520
H -1.084683 0.816891 -2.865624
H -1.798807 1.498921 -0.661258
H -4.084854 2.550100 0.038943
H -4.750272 0.938224 -0.326814
H -2.581621 -0.032720 2.701801


