%chk=000094562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094562

0 1
 S    1.643900       1.408100     -6.6799998E-02
 O    3.617600     -0.2935000      0.3511000    
 O  -0.8043000      0.2784000     -1.2000000E-02
 O   -2.357100      -1.423700     -2.7300000E-02
 N   0.1092000     -0.7836000     -6.0100000E-02
 N   -2.985000      0.8064000      4.5899998E-02
 C    2.550800      -1.118200     -0.1176000    
 C    1.300100     -0.2966000     -6.9700003E-02
 C    3.415300       1.042700     -0.1135000    
 C   -2.074800     -0.2296000     -1.3000000E-03
 C   -4.415800      0.6095000      7.1400002E-02
 H    2.464200      -1.998800      0.5242000    
 H    2.751000      -1.433500      -1.146700    
 H    3.973500       1.732200      0.5250000    
 H    3.788400       1.123100      -1.139500    
 H   -2.630400       1.757600      7.0200004E-02
 H   -4.853400       1.179500     -0.7519000    
 H   -4.795800      0.9958000       1.020300    
 H   -4.675400     -0.4469000     -2.9100001E-02


%chk=000094562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094562

0 1
S 1.770020 1.567523 -0.027819
O 3.691369 -0.316475 0.435642
O -0.878015 0.278808 -0.047010
O -2.502727 -1.492692 0.006317
N 0.156419 -0.764951 -0.060374
N -3.074208 0.793725 0.030276
C 2.583236 -1.094349 -0.135374
C 1.335630 -0.207277 -0.078788
C 3.631377 1.017880 -0.102384
C -2.218226 -0.282416 0.000007
C -4.528619 0.621628 0.083933
H 2.468981 -2.002870 0.472019
H 2.801411 -1.366616 -1.189678
H 4.231861 1.679801 0.534785
H 3.932080 1.061125 -1.165350
H -2.664216 1.728047 0.025948
H -5.020277 1.117561 -0.772872
H -4.947966 1.027710 1.023165
H -4.746130 -0.457262 0.040156


