%chk=000128485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128485

0 1
 S  -0.4852000     -0.5612000       2.040300    
 S    3.672400      0.8551000     -0.7257000    
 O  -7.0100002E-02  -4.533700     -0.3388000    
 O    2.874200      -2.558600      -1.610400    
 O    3.201200      -3.693200      0.3482000    
 O    7.043700       3.974100      0.9193000    
 O    9.078500       2.439200      0.3195000    
 N   0.3698000      -2.282500      0.2085000    
 N   -2.691300      -2.748600     -0.4835000    
 N   -5.906300     -0.3188000      0.4093000    
 N    6.364000      0.5571000     -0.9912000    
 N    5.490400       2.461800      0.1834000    
 N    7.666800      0.9031000     -0.6738000    
 C  -0.7523000      -1.396700      0.4601000    
 C   -1.625500      -2.670100      0.4959000    
 C  -0.3481000      -3.408100      3.1999999E-03
 C    1.667000      -1.881500      0.2273000    
 C    2.032400     -0.6948000      0.7680000    
 C    1.058000      0.2382000       1.483400    
 C    3.438000     -0.1430000      0.7542000    
 C    2.663800      -2.821900     -0.3056000    
 C   -3.709800      -2.000200     -0.2124000    
 C   -4.915200      -1.932900      -1.091200    
 C   -3.724000      -1.158100       1.018300    
 C   -5.912300      -1.116200     -0.7258000    
 C   -4.800500     -0.3931000       1.243400    
 C    5.357200       1.354500     -0.4780000    
 C   -7.057000      0.5087000      0.7544000    
 C   -6.933400       1.870600      0.1296000    
 C    6.207000     -0.6811000      -1.731900    
 C   -7.457600       2.093600      -1.137100    
 C   -6.296800       2.889500      0.8267000    
 C    6.773000       2.896300      0.3983000    
 C    7.959700       2.055700      8.7000001E-03
 C   -7.343200       3.357100      -1.716800    
 C   -6.182700       4.153100      0.2470000    
 C   -6.705800       4.386800      -1.024800    
 H  -0.9484000     -0.7261000     -0.3860000    
 H   -1.905100      -3.072300       1.481500    
 H   0.8028000       1.078200      0.8285000    
 H    1.522600      0.6473000       2.386600    
 H    4.176800     -0.9508000      0.7642000    
 H    3.635700      0.4580000       1.648500    
 H   -4.953900      -2.539100      -1.987100    
 H   -3.002300      -1.215300       1.809200    
 H   -6.810900      -1.036700      -1.327600    
 H   -4.882000      0.1980000       2.149100    
 H    3.537900      -3.162600      -2.006700    
 H   -7.991600      3.0500000E-02  0.4300000    
 H   -7.159500      0.6045000       1.844200    
 H    8.389700      0.2587000     -0.9750000    
 H    5.486300     -0.5625000      -2.547600    
 H    5.865200      -1.482200      -1.069000    
 H    7.147400      -1.006900      -2.191000    
 H   -7.958300       1.300600      -1.685400    
 H   -5.886100       2.719500       1.818000    
 H   -7.750900       3.539400      -2.706900    
 H   -5.686400       4.954900      0.7858000    
 H   -6.616900       5.370700      -1.476100    


%chk=000128485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128485

0 1
S 0.608508 -0.588700 1.697873
S 4.982791 -0.817206 -1.227599
O -0.592428 -4.929795 0.468871
O 1.552457 -4.738016 -1.583076
O 3.508179 -4.800081 -0.334575
O 5.780282 1.558076 3.207292
O 7.385245 3.616832 1.897370
N 0.534879 -2.802945 0.017567
N -2.687868 -2.395056 -0.025857
N -5.609738 0.520790 0.862009
N 6.556552 1.379030 -0.841629
N 5.463836 0.556375 1.113442
N 7.070949 2.446554 -0.064446
C -0.234410 -1.577291 0.320864
C -1.459376 -2.485445 0.743999
C -0.531917 -3.696373 0.397191
C 1.930250 -2.918062 -0.096588
C 2.768840 -1.872264 0.255401
C 2.252533 -0.528872 0.748307
C 4.261997 -1.967996 0.160521
C 2.433441 -4.225042 -0.634505
C -3.559185 -1.437126 0.300319
C -4.825639 -1.373903 -0.431510
C -3.411272 -0.394094 1.328878
C -5.788984 -0.436488 -0.145692
C -4.414212 0.520215 1.574638
C 5.730850 0.496624 -0.181900
C -6.705918 1.465721 1.193263
C -7.168757 2.316788 0.013434
C 6.954509 1.366875 -2.257476
C -8.551879 2.528841 -0.202140
C -6.230850 2.938823 -0.848772
C 6.000345 1.537862 1.973166
C 6.873337 2.628356 1.316796
C -8.995062 3.359611 -1.256792
C -6.671854 3.764609 -1.905086
C -8.055422 3.980210 -2.110566
H -0.400967 -0.931124 -0.554598
H -1.602052 -2.448217 1.848435
H 2.114332 0.168010 -0.098828
H 2.987813 -0.075026 1.434287
H 4.635267 -2.969864 -0.083936
H 4.745546 -1.568577 1.070459
H -4.993549 -2.111711 -1.220104
H -2.489346 -0.312288 1.912003
H -6.735999 -0.380635 -0.688174
H -4.316067 1.295504 2.340700
H 1.842831 -5.652923 -1.845088
H -7.565681 0.900429 1.602903
H -6.331295 2.117266 2.004681
H 7.636570 3.136758 -0.567420
H 6.678162 0.396499 -2.696247
H 8.050643 1.482866 -2.336976
H 6.448772 2.172542 -2.820678
H -9.285796 2.044620 0.454594
H -5.158213 2.767451 -0.699101
H -10.067742 3.516505 -1.414283
H -5.939724 4.239177 -2.567634
H -8.396413 4.621299 -2.930789


