%chk=000108021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108021

0 1
 S   -4.120900      -2.719500      -1.146900    
 O    1.843800      -1.151100       1.603300    
 O    4.640800      0.3416000       1.331000    
 O  -0.8466000      -1.744300      -1.060400    
 O   -4.992000      0.2049000       1.039200    
 N    2.788900     -0.3676000     -0.3587000    
 N  -0.5175000     -0.4130000      0.8224000    
 N   -3.157800      -1.126800       1.338300    
 N    6.066000      -1.392400      0.8249000    
 N   -1.604000       2.591300      0.3709000    
 N   -1.211300       4.566200     -0.5658000    
 C    3.961700      -1.232000     -0.3354000    
 C    4.540500      -1.137700      -1.742300    
 C    2.757100      0.4444000      -1.572400    
 C    4.129200      0.2588000      -2.202300    
 C   0.5603000      0.3882000      0.3180000    
 C    1.781400     -0.4537000      0.5895000    
 C    4.901100     -0.6745000      0.6914000    
 C   0.6859000       1.738800       1.011900    
 C   -2.214700      -2.116600      0.8607000    
 C   -1.135500      -1.418500      8.8000000E-02
 C   -2.890300      -3.244000      9.5200002E-02
 C  -0.2492000       2.764000      0.4160000    
 C   -4.105400     -0.9132000     -0.9131000    
 C   -4.157900     -0.5677000      0.5669000    
 C  -3.0999999E-02   3.989600     -0.1683000    
 C   -5.284000     -0.3136000      -1.674700    
 C   -2.138700       3.698300     -0.2271000    
 H    3.683000      -2.253400     -5.5100001E-02
 H    5.621800      -1.286500      -1.807800    
 H    4.057900      -1.882600      -2.387400    
 H    1.976600      4.4700000E-02  -2.229200    
 H    2.537000       1.490100      -1.342200    
 H    4.110100      0.3615000      -3.290800    
 H    4.829100       1.002200      -1.801800    
 H   0.3961000      0.5070000     -0.7566000    
 H   0.4828000       1.654000       2.087200    
 H    1.710200       2.122300      0.9202000    
 H  -0.8072000     -0.2720000       1.786300    
 H   -1.735700      -2.546900       1.749800    
 H   -2.155800      -3.889100     -0.3987000    
 H   -3.437100      -3.876800      0.8039000    
 H   -3.129800     -0.8806000       2.323200    
 H   -3.188000     -0.4978000      -1.340900    
 H    6.782100      -1.106100       1.484300    
 H    6.250200      -2.235600      0.2910000    
 H   -2.118900       1.791600      0.7150000    
 H   0.9153000       4.487400     -0.3239000    
 H   -6.245900     -0.6692000      -1.287100    
 H   -5.283600      0.7786000      -1.580200    
 H   -5.232300     -0.5471000      -2.744000    
 H   -3.202200       3.808100     -0.3847000    


%chk=000108021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108021

0 1
S -4.302647 -2.104402 -1.357147
O 2.208887 -0.497601 1.736111
O 6.346961 -0.034570 -0.171112
O -0.309318 -1.807736 -1.471993
O -3.995917 0.186141 1.807946
N 2.917968 -0.493873 -0.481518
N -0.443275 -0.495026 0.447827
N -2.755256 -1.691379 1.256138
N 4.962329 0.135157 1.700442
N -1.985626 2.507755 0.902224
N -1.979438 4.292870 -0.491082
C 4.178366 -1.248842 -0.176593
C 4.599528 -1.814277 -1.546185
C 2.743005 -0.279899 -1.956790
C 4.088836 -0.752955 -2.553389
C 0.654480 0.418457 0.090879
C 1.999024 -0.232918 0.493459
C 5.273551 -0.318136 0.439583
C 0.499732 1.769340 0.855508
C -1.959612 -2.444596 0.274388
C -0.832943 -1.548725 -0.346764
C -2.799873 -3.131407 -0.831809
C -0.661469 2.630125 0.438380
C -3.823101 -0.418186 -0.583085
C -3.552061 -0.601690 0.913209
C -0.691671 3.741157 -0.416175
C -4.965107 0.566812 -0.864334
C -2.735065 3.524227 0.317849
H 3.937247 -2.029466 0.568691
H 5.692328 -1.935775 -1.598785
H 4.110108 -2.789441 -1.719323
H 1.888392 -0.886448 -2.309817
H 2.546544 0.784195 -2.177751
H 3.958810 -1.156467 -3.570818
H 4.808283 0.082612 -2.597082
H 0.600283 0.589155 -0.995660
H 0.487297 1.545281 1.940790
H 1.423810 2.349647 0.681556
H -0.823972 -0.430981 1.394712
H -1.425157 -3.241613 0.827441
H -2.151226 -3.297956 -1.706146
H -3.206678 -4.086535 -0.465018
H -2.705222 -1.923341 2.251901
H -2.901211 -0.082579 -1.092989
H 5.620486 0.751534 2.177593
H 4.044155 -0.099579 2.110716
H -2.374250 1.799647 1.532243
H 0.138042 4.179873 -0.967717
H -5.902827 0.232601 -0.390131
H -4.713039 1.560440 -0.460513
H -5.124033 0.662776 -1.951791
H -3.792856 3.670297 0.522630


