%chk=000103268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103268

0 1
 S    3.688500      -2.653300      1.8500000E-02
 S    7.810700      0.8202000      0.1331000    
 S   -8.959700      0.3724000     -0.1338000    
 O    3.177500      -2.993900      -1.493500    
 O    8.098800      0.9981000       1.732600    
 O    2.542200      -2.686400      0.9080000    
 O    4.860000      -3.472800      0.2727000    
 O    8.495000     -0.3932000     -0.2891000    
 O    8.084400       2.091300     -0.5191000    
 O   -4.556000      -2.256700      0.4666000    
 O   -9.694500       1.826600     -8.0100000E-02
 O   -9.139400     -0.1918000      -1.455800    
 O   -9.294200     -0.3644000       1.067500    
 N  -0.3069000      0.7486000     -0.5610000    
 N   -6.346400     -0.1072000      0.1620000    
 N  -0.8298000      0.7620000      0.5782000    
 C    3.326400      9.6000001E-02 -0.2029000    
 C    3.835400       1.415500     -0.2504000    
 C    4.217900     -0.9788000     -5.1899999E-02
 C    6.091600      0.5422000      4.9999999E-03
 C    5.220600       1.621600     -0.1451000    
 C    5.591200     -0.7556000      5.1199999E-02
 C    1.941200     -0.1100000     -0.3081000    
 C    2.944300       2.490400     -0.4017000    
 C    1.070300      0.9698000     -0.4576000    
 C    1.570900       2.267400     -0.5044000    
 C   -4.953800      0.1009000      0.2672000    
 C   -4.083800     -0.9789000      0.4178000    
 C   -2.213600      0.5401000      0.4738000    
 C   -7.280000      0.9686000      7.4000000E-03
 C   -4.450300       1.401100      0.2206000    
 C   -2.710200     -0.7589000      0.5212000    
 C   -3.076800       1.621300      0.3243000    
 C   -4.671600      -2.952000     -0.7729000    
 H    5.609400       2.637600     -0.1735000    
 H    6.285600      -1.580800      0.1736000    
 H    1.486700      -1.093100     -0.3302000    
 H    3.313000       3.513300     -0.4410000    
 H   0.9003000       3.114700     -0.6217000    
 H   -6.682200      -1.061800      0.2206000    
 H   -7.261200       1.624800      0.8842000    
 H   -7.084200       1.547300     -0.9017000    
 H   -5.089800       2.271100      0.1064000    
 H   -2.032900      -1.601300      0.6399000    
 H   -2.692300       2.637100      0.2882000    
 H    3.863800      -2.925200      -2.198200    
 H    7.884000      0.2138000       2.290500    
 H   -3.686300      -3.079200      -1.232400    
 H   -5.338600      -2.419400      -1.458100    
 H   -5.093900      -3.940500     -0.5728000    
 H   -9.693400       2.270700      0.8003000    


%chk=000103268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103268

0 1
S 3.442828 -2.615598 -0.010862
S 7.887812 0.698623 -0.419214
S -7.964570 1.472594 -1.400193
O 2.786572 -2.643427 -1.747055
O 8.169179 0.657810 1.414092
O 2.191169 -2.767341 1.003532
O 4.696002 -3.628040 0.115589
O 8.530354 -0.634977 -1.068756
O 8.259601 2.167213 -0.983507
O -5.041818 -2.383732 0.818758
O -9.774562 1.755952 -0.899128
O -7.301545 2.921546 -1.749239
O -7.896032 0.309173 -2.531961
N -0.415850 1.401779 -0.009806
N -6.569760 -0.252955 0.620542
N -0.962541 0.222185 0.159327
C 3.210233 0.280342 -0.145556
C 3.843590 1.591055 -0.260360
C 4.099812 -0.846557 -0.132425
C 6.028529 0.533248 -0.300680
C 5.267222 1.691316 -0.333004
C 5.482525 -0.771121 -0.204080
C 1.792089 0.195047 -0.063283
C 3.019129 2.763056 -0.297730
C 1.015615 1.368790 -0.095142
C 1.635272 2.656312 -0.219137
C -5.182718 -0.038705 0.479559
C -4.342202 -1.191523 0.594884
C -2.381598 0.221294 0.248335
C -7.529878 0.722471 0.647070
C -4.608494 1.232495 0.217095
C -2.952031 -1.062819 0.479363
C -3.216338 1.366912 0.111721
C -4.268320 -3.631610 0.888690
H 5.752657 2.669375 -0.424899
H 6.112791 -1.667870 -0.200738
H 1.283880 -0.767124 0.040437
H 3.498410 3.743360 -0.389553
H 0.985785 3.536266 -0.245754
H -6.848966 -1.239997 0.578473
H -8.551740 0.392132 0.859750
H -7.248827 1.702893 1.046504
H -5.247773 2.107537 0.059168
H -2.271725 -1.913757 0.568358
H -2.756008 2.336183 -0.095696
H 2.400536 -3.552271 -1.915116
H 9.156512 0.600105 1.573181
H -3.562948 -3.606780 1.739603
H -3.719497 -3.804516 -0.055366
H -5.013456 -4.424749 1.041740
H -10.231004 2.257706 -1.633128


