%chk=000136932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136932

0 1
 S    1.708100       2.126800     -2.0000001E-03
 O   -2.732500     -0.4107000     -2.3000001E-03
 N  -0.6801000      0.7396000      1.2000001E-03
 N    1.321800     -0.5856000      3.0000001E-04
 C   0.7558000      0.7169000     -3.9999999E-04
 C   -1.502300     -0.4019000     -5.0000002E-04
 C   0.5347000      -1.716600      6.9999998E-04
 C  -0.7943000      -1.691100      5.0000002E-04
 C   -1.388400       2.027200      2.4000001E-03
 C    2.777300     -0.8046000      9.9999997E-05
 H    1.047800      -2.672600      1.1000000E-03
 H   -1.378700      -2.603600      5.0000002E-04
 H   -2.474800       1.906900      5.7999999E-03
 H   -1.107700       2.592500     -0.8918000    
 H   -1.102600       2.593900      0.8940000    
 H    3.208900     -0.3440000     -0.8941000    
 H    3.033100      -1.868800      2.4000001E-03
 H    3.209800     -0.3401000      0.8919000    


%chk=000136932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000136932

0 1
S 1.702591 2.075745 -0.000220
O -2.806108 -0.321121 0.000635
N -0.675458 0.703801 0.001040
N 1.302627 -0.623417 0.000453
C 0.726135 0.663973 0.000423
C -1.546942 -0.455996 0.000901
C 0.522917 -1.775726 0.000400
C -0.847777 -1.731182 0.000520
C -1.331388 2.031868 0.001388
C 2.780008 -0.733730 -0.000052
H 1.074880 -2.718598 0.000237
H -1.450647 -2.639658 0.000394
H -2.416871 1.855197 0.003193
H -1.024348 2.601456 -0.891307
H -1.021122 2.602405 0.892319
H 3.197843 -0.235707 -0.890262
H 3.051044 -1.801799 0.001265
H 3.198516 -0.233313 0.888475


