%chk=000126836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126836

0 1
 S    3.053400       1.314000     -5.5300001E-02
 S    1.755700      -1.323300      0.1077000    
 O   -2.266700       1.758000     -0.1237000    
 O   -3.719800     -0.4266000       1.003700    
 N   0.4124000      0.9708000     -6.0600001E-02
 N  -0.6206000      9.9399999E-02 -1.3400000E-02
 C    4.134500     -0.1248000     -0.2974000    
 C    3.533200      -1.283700      0.4755000    
 C    1.567500      0.4050000     -1.0500000E-02
 C   -1.900800      0.5949000     -5.0799999E-02
 C   -2.957300     -0.4689000      4.9199998E-02
 C   -2.991500      -1.514900      -1.024400    
 H    5.145600      0.1018000      5.3199999E-02
 H    4.190400     -0.3516000      -1.367900    
 H    3.997300      -2.232300      0.1899000    
 H    3.670200      -1.151300       1.554500    
 H  -0.4127000     -0.8909000      6.5800004E-02
 H   -2.168000      -2.219200     -0.8867000    
 H   -3.939300      -2.057800     -0.9706000    
 H   -2.923200      -1.039900      -2.006600    


%chk=000126836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126836

0 1
S 3.199921 1.277419 -0.457660
S 2.284269 -1.536590 0.503970
O -2.063132 0.978660 -1.497245
O -2.377208 -2.072796 0.349944
N 0.620979 0.474562 -0.618262
N -0.459338 -0.352387 -0.365592
C 4.527096 -0.013367 -0.071396
C 3.996353 -0.927037 1.036834
C 1.811029 0.101476 -0.251474
C -1.734858 -0.024804 -0.809447
C -2.759512 -1.090102 -0.346712
C -4.183918 -0.857856 -0.777918
H 5.418114 0.545202 0.259813
H 4.749098 -0.574389 -0.992343
H 4.622497 -1.825251 1.161570
H 3.890310 -0.396272 1.995549
H -0.375488 -1.215017 0.201681
H -4.237144 -0.778073 -1.879050
H -4.830301 -1.671203 -0.416777
H -4.538466 0.116524 -0.393885


