%chk=000103141.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103141

1 1
 S  -0.2544000       3.016400      0.4273000    
 S  -0.4038000      -4.459600      0.5023000    
 S    4.685600      -2.536500     -0.2452000    
 O   0.7200000      -4.980800       1.563600    
 O    5.357600      -3.478500      -1.394800    
 O   0.2015000      -4.376300     -0.8147000    
 O   -1.633800      -5.197800      0.7264000    
 O    3.558500      -3.242100      0.3366000    
 O    5.743400      -1.983300      0.5809000    
 N   -2.512300      0.2149000     -7.1500003E-02
 N    1.801400       1.726500     -0.7041000    
 C   -1.656000     -0.5780000      0.8305000    
 C    2.652100      0.8226000      -1.453900    
 C   -1.919800      0.9116000      -1.041900    
 C   0.4087000       1.717200     -0.6065000    
 C   -1.480200      -1.977800      0.2564000    
 C    3.212700     -0.2731000     -0.5528000    
 C   -3.846700      0.2129000      0.1071000    
 C    2.371900       2.774100      4.4500001E-02
 C  -0.4574000      0.8695000      -1.183600    
 C    1.423000       3.573100      0.7214000    
 C   -4.655500      0.9760000     -0.7640000    
 C  -0.5931000      -2.829200       1.149800    
 C    4.077700      -1.269300      -1.313500    
 C   -2.651200       1.677000      -1.925300    
 C   -4.034400       1.708900      -1.784400    
 C    3.723300       3.080500      0.1731000    
 C   -4.425200     -0.5331000       1.138900    
 C    1.796200       4.652600       1.510100    
 C   -6.046400      0.9709000     -0.5755000    
 C    4.109400       4.166800      0.9658000    
 C   -5.808800     -0.5260000       1.311100    
 C    3.153300       4.946500       1.629000    
 C   -6.617100      0.2233000      0.4568000    
 H  -0.6835000     -0.1007000      0.9686000    
 H   -2.049300     -0.5742000       1.849600    
 H    3.462400       1.363700      -1.957900    
 H    2.084400      0.3577000      -2.269000    
 H   -2.455800      -2.464000      0.1384000    
 H   -1.051200      -1.928000     -0.7507000    
 H    3.797800      0.1639000      0.2651000    
 H    2.380100     -0.8030000     -7.1699999E-02
 H  -9.7999997E-02  6.1200000E-02  -1.814300    
 H   -1.014500      -2.918800       2.156000    
 H   0.4061000      -2.386600       1.220400    
 H    3.489100      -1.756200      -2.097900    
 H    4.940200     -0.7742000      -1.770000    
 H   -2.178000       2.246500      -2.719300    
 H   -4.623700       2.308000      -2.474600    
 H    4.495600       2.501500     -0.3223000    
 H   -3.876700      -1.167200       1.824200    
 H    1.058900       5.259300       2.025500    
 H   -6.695800       1.547800      -1.230100    
 H    5.164000       4.408900       1.068900    
 H   -6.260300      -1.111200       2.107300    
 H    3.473400       5.785900       2.240100    
 H   -7.694800      0.2243000      0.5935000    
 H    4.721300      -3.961800      -1.972800    
 H    1.619500      -4.591600       1.454100    


%chk=000103141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103141

1 1
S 0.082229 3.814528 0.576921
S 0.324065 -4.620256 -0.001465
S 3.977765 -2.861891 0.112452
O 1.405056 -5.294533 1.262127
O 3.855389 -4.179138 -1.102691
O 1.237258 -3.908967 -1.182966
O -0.759534 -5.725166 -0.409694
O 2.827912 -3.091477 1.278866
O 5.508033 -2.693583 0.547708
N -2.537102 -0.014691 0.232675
N 1.862802 2.093555 -0.357856
C -1.840491 -1.095301 0.986145
C 2.451898 0.935239 -1.066927
C -1.803434 1.107523 -0.177432
C 0.509999 2.161758 -0.056271
C -1.327365 -2.269969 0.108072
C 3.041061 -0.147785 -0.119787
C -3.941436 -0.111540 0.047168
C 2.623190 3.259184 -0.065338
C -0.370328 1.068238 -0.134465
C 1.826081 4.322507 0.428732
C -4.657281 1.030023 -0.460670
C -0.493116 -3.191908 0.999319
C 3.389976 -1.373471 -0.964861
C -2.536912 2.239658 -0.678673
C -3.914210 2.209679 -0.804284
C 4.014071 3.434105 -0.235309
C -4.662320 -1.296660 0.362823
C 2.373464 5.574781 0.749174
C -6.072443 0.957986 -0.625148
C 4.572765 4.688753 0.088497
C -6.056072 -1.337262 0.191574
C 3.766088 5.748724 0.573754
C -6.771070 -0.209693 -0.299518
H -0.996480 -0.623951 1.519523
H -2.532153 -1.469975 1.758835
H 3.234276 1.319864 -1.743983
H 1.662946 0.498084 -1.705311
H -2.173794 -2.820440 -0.339594
H -0.712017 -1.890366 -0.728640
H 3.932953 0.242447 0.401850
H 2.300346 -0.419607 0.654741
H 0.106995 0.086667 -0.181131
H -1.075141 -3.742799 1.756346
H 0.384038 -2.701898 1.454420
H 2.521777 -1.803543 -1.491210
H 4.242231 -1.231898 -1.649313
H -1.972441 3.110007 -1.018286
H -4.448856 3.076699 -1.206232
H 4.655853 2.626435 -0.599220
H -4.158107 -2.195561 0.723592
H 1.751684 6.391252 1.126938
H -6.602118 1.834684 -1.013153
H 5.649079 4.841796 -0.034417
H -6.596075 -2.257674 0.435025
H 4.222856 6.711529 0.820304
H -7.856018 -0.262288 -0.425628
H 2.833248 -4.292027 -1.273009
H 2.130333 -4.559288 1.415903


