%chk=000107602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107602

0 1
 S    1.244200       1.186400     -0.6162000    
 O    1.010800       1.904200      -1.912600    
 O    2.625000      -2.578900       1.375800    
 O    5.535300       1.123100       1.489100    
 O    5.602200     -0.7035000      0.1271000    
 O   -1.270900      -1.184100      -1.962100    
 O   -3.622900     -0.9216000     -0.6715000    
 N    2.953500     -0.7734000     -0.1065000    
 N  -0.1099000      -1.623900      2.7000001E-03
 C    1.901100     -0.5125000      -1.095600    
 C    2.985700       1.632400     -2.7999999E-03
 C    3.487900      0.3315000      0.6616000    
 C    1.215000      -1.794700     -0.5999000    
 C    2.370300      -1.890800      0.4135000    
 C    3.835900       2.098000      -1.195000    
 C    2.846200       2.765100       1.017100    
 C    4.973200      0.1686000      0.7080000    
 C   -1.252700      -1.329400     -0.7428000    
 C   -2.489400      -1.206100      0.1205000    
 C   -4.628000     -0.1868000     -8.8000000E-02
 C   -4.837700     -0.2811000       1.280700    
 C   -5.418400      0.6369000     -0.8774000    
 C   -5.858400      0.4635000       1.871900    
 C   -6.438900       1.381700     -0.2861000    
 C   -6.658900       1.295000       1.088600    
 H    2.271600     -0.5617000      -2.124800    
 H    3.102300      0.2253000       1.684200    
 H    1.227500      -2.619500      -1.321900    
 H    3.944700       1.315600      -1.953500    
 H    3.388600       2.969500      -1.687000    
 H    4.840900       2.395800     -0.8774000    
 H    2.222300       2.466300       1.867400    
 H    3.819000       3.077500       1.409100    
 H    2.375300       3.646800      0.5666000    
 H  -0.2186000      -1.723600       1.009500    
 H    6.511300       1.033900       1.531700    
 H   -2.639800      -2.154500      0.6488000    
 H   -2.277200     -0.4043000      0.8405000    
 H   -4.254800     -0.9372000       1.919500    
 H   -5.249700      0.7065000      -1.948000    
 H   -6.034500      0.3915000       2.941300    
 H   -7.062500       2.028800     -0.8961000    
 H   -7.454500       1.873700       1.548800    


%chk=000107602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107602

0 1
S 1.419028 1.624752 0.528964
O 1.543177 3.263368 0.270473
O 1.436154 -2.569581 -0.808209
O 5.791912 -0.951551 0.900219
O 5.437659 -0.345621 -1.322158
O -1.443518 0.138994 -3.613334
O -3.053195 0.023201 -0.363958
N 2.581491 -0.419305 -0.791448
N -0.678185 -0.095139 -1.412365
C 1.792659 0.747240 -1.198786
C 3.394556 1.029503 1.034144
C 3.550095 -0.356830 0.305046
C 0.705994 -0.231468 -1.779280
C 1.558663 -1.366933 -1.083608
C 4.234811 2.180054 0.492979
C 3.419280 0.903616 2.557725
C 4.993905 -0.544346 -0.177256
C -1.663911 0.064222 -2.370637
C -3.090821 0.148103 -1.823286
C -4.276968 0.065322 0.340388
C -5.538336 0.219460 -0.281862
C -4.172400 -0.059103 1.745900
C -6.701102 0.246793 0.523696
C -5.340764 -0.029523 2.532820
C -6.612207 0.123109 1.927066
H 2.245441 1.523536 -1.835174
H 3.330689 -1.175685 1.015528
H 0.753671 -0.279304 -2.882648
H 4.455153 2.079777 -0.583689
H 3.672556 3.130522 0.624976
H 5.189621 2.257906 1.044717
H 2.648797 0.205455 2.932504
H 4.407355 0.525072 2.883237
H 3.258266 1.887230 3.032883
H -0.991115 -0.158131 -0.438135
H 6.735574 -1.053782 0.600057
H -3.526661 1.119519 -2.128656
H -3.685621 -0.668187 -2.277975
H -5.631611 0.317682 -1.367491
H -3.182826 -0.176325 2.198472
H -7.678903 0.366209 0.044153
H -5.258558 -0.125486 3.620956
H -7.517703 0.145655 2.541852


