%chk=000004698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004698

0 1
 S   -3.461200      -1.043800       1.912400    
 O   -1.489600       1.263700       1.336100    
 O    2.787800      -1.613400       1.189700    
 O   -1.946300       2.700000     -0.4211000    
 O    4.205600      0.1950000       1.471000    
 N    1.529500      0.8416000      -2.112300    
 C    1.086300       1.011200      0.6802000    
 C   4.4700000E-02   1.415600     -0.3623000    
 C    2.303700      0.3249000      6.2500000E-02
 C   0.3111000       1.344700      -1.685900    
 C    2.488700      0.2932000      -1.276400    
 C    1.536000       2.245600       1.477700    
 C   -1.249500       1.886000      0.1566000    
 C  -0.6311000       1.725000      -2.796900    
 C    3.675800     -0.3080000      -1.979000    
 C    3.226500     -0.3468000      0.9912000    
 C   -2.722600       1.619300       1.970300    
 C   -3.833900      0.6901000       1.508100    
 C    3.587300      -2.400800       2.078200    
 C   -2.587300      -1.567400      0.4421000    
 C   -3.222000      -1.513700     -0.7953000    
 C   -1.277100      -2.025500      0.5435000    
 C   -2.540100      -1.921800      -1.941800    
 C  -0.5953000      -2.433400     -0.6029000    
 C   -1.226900      -2.381500      -1.845600    
 H   0.6428000      0.2841000       1.372100    
 H    2.036900       2.978000      0.8334000    
 H    2.234500       1.970400       2.275400    
 H   0.6905000       2.749300       1.958300    
 H    1.701500      0.8001000      -3.110400    
 H  -0.4264000       1.144300      -3.703900    
 H   -1.675700       1.522000      -2.544200    
 H  -0.5189000       2.785600      -3.042900    
 H    4.175500      0.4497000      -2.592200    
 H    3.352900      -1.124200      -2.634200    
 H    4.420800     -0.7138000      -1.288700    
 H   -2.984400       2.666900       1.778100    
 H   -2.569400       1.533700       3.052300    
 H   -4.760400      0.9576000       2.026500    
 H   -4.017900      0.8081000      0.4367000    
 H    3.132300      -3.391700       2.156400    
 H    3.609400      -1.944900       3.072700    
 H    4.600500      -2.509800       1.679700    
 H   -4.248200      -1.169400     -0.8933000    
 H  -0.7685000      -2.070900       1.503100    
 H   -3.031900      -1.882500      -2.909400    
 H   0.4281000      -2.789000     -0.5287000    
 H  -0.6951000      -2.697400      -2.738300    


%chk=000004698-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004698

0 1
S -3.413239 -1.134599 2.084174
O -1.473876 1.454406 1.316201
O 2.312102 -1.139512 1.738047
O -2.185814 2.476929 -0.661199
O 3.792144 -1.670371 0.026503
N 1.784374 1.563589 -2.151021
C 1.106334 0.982137 0.519224
C 0.103455 1.609885 -0.454179
C 2.179671 0.184253 -0.234115
C 0.511571 1.973222 -1.726109
C 2.549699 0.572479 -1.510693
C 1.767144 2.079045 1.407073
C -1.264057 1.901243 -0.010706
C -0.291133 2.736062 -2.756112
C 3.675220 0.028650 -2.361985
C 2.854009 -0.932918 0.448338
C -2.829973 1.681503 1.865212
C -3.827896 0.604515 1.432141
C 2.925570 -2.244018 2.506058
C -2.480311 -1.855530 0.660039
C -3.151769 -2.170002 -0.545868
C -1.107070 -2.157406 0.809405
C -2.442259 -2.774800 -1.608762
C -0.405560 -2.776746 -0.251775
C -1.069235 -3.084080 -1.461814
H 0.562936 0.302164 1.190226
H 2.333534 2.800929 0.789975
H 2.459798 1.615690 2.132377
H 0.992241 2.628987 1.970716
H 2.084778 1.854193 -3.082878
H 0.339771 3.022336 -3.618736
H -1.137031 2.128082 -3.122579
H -0.742705 3.639483 -2.317957
H 4.268844 0.859485 -2.791461
H 3.273932 -0.569256 -3.203425
H 4.329876 -0.622537 -1.768792
H -3.192374 2.671402 1.526253
H -2.682404 1.678028 2.956805
H -4.821886 0.839627 1.853170
H -3.910272 0.551296 0.335290
H 2.392535 -2.245681 3.467678
H 4.004076 -2.061402 2.649094
H 2.795337 -3.204149 1.977781
H -4.222537 -1.959118 -0.643640
H -0.590584 -1.896632 1.738344
H -2.965315 -3.017226 -2.540795
H 0.659457 -3.005591 -0.134729
H -0.522106 -3.562044 -2.282195


