%chk=000003533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003533

0 1
 S  -0.1202000       1.064600      0.4134000    
 O    1.895200      -1.604400     -0.7320000    
 O    4.087900      -1.141600      -1.072800    
 N    4.214900     -0.1582000       1.499700    
 N   -2.805200     -0.2815000     -0.2014000    
 N   -4.303800      -2.033000      0.4885000    
 C    2.662300       1.374600      0.3910000    
 C    2.932200     -8.2400002E-02  0.7932000    
 C    1.393000       1.607400     -0.4339000    
 C   -1.311900       1.511100     -0.8698000    
 C    3.059400     -0.9737000     -0.4293000    
 C   -2.726500       1.163500     -0.4341000    
 C   -3.940300     -0.7373000      0.2041000    
 C   -5.037100      0.2910000      0.3833000    
 H    2.620400       1.999400       1.293600    
 H    3.508000       1.752200     -0.2007000    
 H    2.156900     -0.4771000       1.457500    
 H    1.468300       1.090200      -1.395800    
 H    1.303600       2.679000     -0.6429000    
 H   -1.060100      0.9708000      -1.788800    
 H   -1.242700       2.585300      -1.069400    
 H   -3.390600       1.469200      -1.250800    
 H   -2.956400       1.746400      0.4657000    
 H    4.363500      -1.109300       1.835900    
 H    4.182300      0.4331000       2.329400    
 H    1.987700      -2.185900      -1.516500    
 H   -4.789000       1.006800       1.171400    
 H   -5.274400      0.7992000     -0.5546000    
 H   -5.961300     -0.2047000      0.7025000    
 H   -5.237000      -2.279000      0.8009000    
 H   -3.636600      -2.791200      0.3930000    


%chk=000003533-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003533

0 1
S -0.594258 2.521567 -0.488683
O 1.983827 -0.512060 -1.626006
O 2.864093 -1.888020 0.016663
N 1.127106 -0.796697 1.983916
N -2.074292 -0.570472 -0.667786
N -2.166503 -1.722130 1.340627
C 1.697898 1.325138 0.774906
C 1.200853 -0.154510 0.665535
C 1.289764 2.249648 -0.385193
C -1.107605 1.366821 -1.916358
C 2.089629 -0.954430 -0.293699
C -2.375205 0.560387 -1.558503
C -2.513334 -0.606485 0.567233
C -3.345009 0.449702 1.291918
H 1.265107 1.695665 1.720563
H 2.801816 1.350323 0.892877
H 0.184015 -0.122959 0.231603
H 1.617518 1.863820 -1.363580
H 1.713579 3.258251 -0.242649
H -0.267160 0.681385 -2.114866
H -1.289639 1.999623 -2.801938
H -2.760979 0.136887 -2.509162
H -3.154154 1.260043 -1.179238
H 1.977191 -1.304966 2.247702
H 0.270414 -1.340327 2.121351
H 2.589042 -1.060209 -2.197438
H -2.809056 1.414977 1.274837
H -4.321828 0.591461 0.796074
H -3.530142 0.175663 2.344208
H -2.593608 -1.878850 2.249637
H -1.726580 -2.504749 0.855747


