%chk=000029861.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029861

0 1
 S   -2.872900     -0.6913000      5.5000000E-03
 O    1.030000     -0.6794000     -1.3000000E-03
 O    1.644400       1.540300      5.2000000E-03
 N  -0.2642000     -0.1437000      2.7000001E-03
 N    3.213900     -0.1665000     -3.8999999E-03
 C   -2.839700       1.114100      1.1700000E-02
 C   -4.249600       1.673000     -1.5100000E-02
 C   -1.155800      -1.083700      1.6000000E-03
 C  -0.8463000      -2.559400     -3.8999999E-03
 C    1.933700      0.3476000       0.000000    
 C    4.406500      0.6492000     -2.4000001E-03
 H   -2.324200       1.467800      0.9105000    
 H   -2.291500       1.474100     -0.8649000    
 H   -4.789000       1.362000     -0.9162000    
 H   -4.824700       1.356900      0.8619000    
 H   -4.216700       2.767700     -1.1200000E-02
 H  -0.2631000      -2.804100     -0.8969000    
 H   -1.750100      -3.174800     -3.1000001E-03
 H  -0.2578000      -2.809700      0.8840000    
 H    3.324700      -1.175800     -6.8999999E-03
 H    4.160900       1.713700     -5.4000001E-03
 H    4.990800      0.4003000     -0.8916000    
 H    4.985800      0.4043000      0.8911000    


%chk=000029861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029861

0 1
S -2.949077 -0.728626 -0.004915
O 1.054589 -0.650186 -0.001892
O 1.770452 1.642454 -0.000528
N -0.336379 -0.119353 -0.002377
N 3.261963 -0.177655 0.000666
C -2.902747 1.176622 -0.003360
C -4.343975 1.699352 -0.004726
C -1.173195 -1.134018 -0.003946
C -0.845130 -2.607211 -0.005230
C 2.019998 0.422350 -0.000779
C 4.497581 0.609054 0.003189
H -2.336567 1.483821 0.889568
H -2.334391 1.485201 -0.894428
H -4.897400 1.368558 -0.901479
H -4.899776 1.366750 0.889898
H -4.331409 2.804591 -0.003561
H -0.240374 -2.859054 -0.894813
H -1.758663 -3.222755 -0.005314
H -0.239508 -2.860440 0.883349
H 3.297776 -1.196939 0.000938
H 4.219102 1.674676 -0.002440
H 5.110075 0.398846 -0.893067
H 5.102155 0.406562 0.906646


