%chk=000169692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169692

0 1
 S    2.529000      -2.433600      4.7200002E-02
 O   0.9256000      -2.697300     -0.1151000    
 O    2.916400      -2.803600       1.394600    
 O    3.193300      -2.991700      -1.114500    
 O   -1.486900      -3.381800     -0.3852000    
 O    3.248900       3.406300     -0.3556000    
 O    5.438600       1.742300      3.3500001E-02
 N   -5.010700      0.9271000      0.1815000    
 N   -2.331900      -1.475800      0.6503000    
 C   3.0700000E-02  -1.719700      0.3923000    
 C   0.2017000     -0.4247000     -0.3884000    
 C    1.593400      0.1348000     -0.2450000    
 C    2.715100     -0.6824000     -6.5499999E-02
 C   -4.359000      -1.274000     -0.7512000    
 C   -4.312300      0.2491000     -0.9038000    
 C   -1.326700      -2.300500      0.1749000    
 C   -3.736400      -1.798000      0.5414000    
 C    1.798000       1.516700     -0.3517000    
 C    4.003500     -0.1552000      3.2600001E-02
 C   -6.456100      0.9198000     -5.1500000E-02
 C   -4.527100       2.301200      0.3272000    
 C    3.083100       2.057300     -0.2551000    
 C    4.183000       1.222500     -6.1200000E-02
 C   -7.201800       1.564900       1.104400    
 C   -4.810100       3.118100     -0.9222000    
 C    3.190000       4.158000      0.8547000    
 C    6.508600      0.8203000      0.2316000    
 H   0.1999000      -1.587100       1.468100    
 H   2.2000000E-02 -0.5969000      -1.457800    
 H  -0.5229000      0.3255000     -5.1800001E-02
 H   -3.827000      -1.714700      -1.604600    
 H   -5.390700      -1.636600     -0.8211000    
 H   -3.253900      0.5406000     -0.9261000    
 H   -4.722400      0.5105000      -1.888000    
 H   -3.849100      -2.887200      0.5805000    
 H   -4.238400      -1.383700       1.421500    
 H   0.9507000       2.180100     -0.5120000    
 H   -2.089000     -0.6121000       1.125900    
 H    4.817100     -0.8571000      0.1769000    
 H   -6.803500     -0.1194000     -9.2299998E-02
 H   -6.759400       1.368600      -1.004100    
 H   -4.942200       2.792400       1.213600    
 H   -3.444400       2.285900      0.5091000    
 H   -6.861200       1.179500       2.071700    
 H   -7.112900       2.655400       1.106600    
 H   -8.270700       1.337600       1.022800    
 H   -4.375000       2.694200      -1.831500    
 H   -5.875200       3.301400      -1.088000    
 H   -4.351900       4.107400     -0.8015000    
 H    2.207800       4.049700       1.325700    
 H    3.975700       3.837900       1.546300    
 H    3.346800       5.212400      0.6113000    
 H    7.432100       1.406200      0.2872000    
 H    6.616400      0.1381000     -0.6186000    
 H    6.412500      0.2885000       1.184400    


%chk=000169692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169692

0 1
S 0.115482 1.769355 0.783621
O -0.953836 0.435190 -0.038375
O -0.307302 3.195175 0.134117
O 0.018885 1.568204 2.383124
O -1.726912 -0.523454 -3.463670
O 5.527649 0.040831 -1.307904
O 5.357193 1.621451 1.109234
N -4.876253 0.127057 0.638076
N -2.930560 -0.521253 -1.447108
C -0.682608 0.460208 -1.493606
C 0.669169 -0.211501 -1.790388
C 1.851932 0.380680 -1.033006
C 1.774021 1.193699 0.118525
C -5.376380 -0.135536 -1.846437
C -5.331195 0.801927 -0.609309
C -1.847611 -0.253130 -2.225905
C -4.180318 -1.124681 -1.924129
C 3.166463 0.057885 -1.448691
C 2.892374 1.640174 0.849381
C -5.860609 -0.867234 1.144227
C -4.372651 1.087612 1.665706
C 4.325104 0.495676 -0.772963
C 4.186356 1.280777 0.420789
C -5.308332 -1.746935 2.281076
C -5.426328 2.022649 2.315024
C 6.751699 0.869043 -1.233568
C 5.211865 2.391864 2.351602
H -0.677887 1.514587 -1.844435
H 0.589050 -1.284666 -1.527150
H 0.848135 -0.165549 -2.879026
H -5.391067 0.507389 -2.747088
H -6.313201 -0.725546 -1.864674
H -4.609309 1.615349 -0.812526
H -6.332141 1.284861 -0.495010
H -4.023809 -1.469821 -2.960254
H -4.391069 -2.008854 -1.294075
H 3.316932 -0.559378 -2.340740
H -2.921421 -0.261911 -0.448749
H 2.745712 2.229248 1.758832
H -6.135672 -1.520507 0.294803
H -6.808944 -0.376768 1.478405
H -3.860913 0.508525 2.454932
H -3.589201 1.701059 1.180957
H -4.351223 -2.209725 1.980467
H -5.134935 -1.171206 3.207348
H -6.026833 -2.552309 2.519714
H -5.932853 2.654657 1.563011
H -6.198936 1.452852 2.863149
H -4.929222 2.694781 3.038278
H 6.545499 1.900030 -1.574111
H 7.154904 0.888757 -0.210294
H 7.451849 0.375616 -1.924384
H 6.237495 2.530150 2.722296
H 4.615790 1.832517 3.097162
H 4.747071 3.377331 2.158121


