%chk=000089847.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089847

0 1
 S    3.190900     -0.1233000      9.2900001E-02
 O    3.734800       1.102600      0.6602000    
 O    3.547100      -1.409900      0.6747000    
 O   -3.379300     -0.9006000     -1.0700000E-02
 O   -3.401900       1.401100     -2.7899999E-02
 N    3.543400     -0.1611000      -1.578600    
 C    1.450100      8.7000001E-03  6.2799998E-02
 C   0.8463000       1.266000      4.2800002E-02
 C   0.6633000      -1.142900      5.9000000E-02
 C   -1.331200      0.2198000      1.5200000E-02
 C  -0.5444000       1.371500      1.9099999E-02
 C  -0.7274000      -1.037500      3.5200000E-02
 C   -2.781200      0.3300000     -9.3999999E-03
 C   -4.810500     -0.9244000     -3.5399999E-02
 H    1.439600       2.176000      3.8800001E-02
 H    1.112900      -2.131900      6.7900002E-02
 H  -0.9947000       2.360600      2.4000001E-03
 H   -1.299600      -1.961000      3.1599998E-02
 H    3.994400      0.6653000      -1.989500    
 H    3.864200      -1.051500      -1.978200    
 H   -5.133800      -1.968600     -3.3500001E-02
 H   -5.179800     -0.4424000     -0.9455000    
 H   -5.211000     -0.4294000      0.8541000    


%chk=000089847-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089847

0 1
S 3.280542 -0.103300 0.056727
O 3.846405 1.304805 0.649944
O 3.675405 -1.563913 0.662050
O -3.498032 -0.933532 0.006781
O -3.478895 1.396684 -0.015212
N 3.725471 -0.138630 -1.724792
C 1.399604 0.007167 0.019126
C 0.813548 1.283327 0.016457
C 0.670519 -1.192782 0.028690
C -1.369120 0.165331 0.004394
C -0.594403 1.354001 0.008278
C -0.737331 -1.105025 0.021066
C -2.858413 0.305910 -0.003441
C -4.979490 -0.888938 0.004808
H 1.436618 2.182611 0.044974
H 1.187482 -2.156733 0.065738
H -1.110795 2.318990 0.007645
H -1.351180 -2.009111 0.030632
H 4.305006 0.692258 -1.930364
H 4.210119 -1.030706 -1.919211
H -5.291472 -1.942505 0.013260
H -5.343879 -0.371680 -0.898560
H -5.345507 -0.357127 0.899009


