%chk=000016007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016007

0 1
 S   0.5185000      -1.871900      3.9999999E-04
 O   -2.788300       1.399800     -6.0000003E-04
 N   8.1400000E-02  0.6700000      1.3000000E-03
 N   -1.851800     -0.7643000      3.0000001E-04
 N   -4.149900     -0.4652000     -9.9999997E-05
 C    1.892300     -0.8299000       0.000000    
 C    1.458100      0.4991000      6.0000003E-04
 C  -0.5073000     -0.5032000      1.2000001E-03
 C    3.256000      -1.164400     -8.9999998E-04
 C    2.425000       1.527900      5.0000002E-04
 C    4.192300     -0.1273000     -1.1000000E-03
 C    3.784300       1.202000     -3.9999999E-04
 C   -2.906000      0.1771000     -5.0000002E-04
 C   -5.404700      0.2504000     -7.9999998E-04
 H    3.581800      -2.200000     -1.5000000E-03
 H    2.117300       2.569800      1.0000000E-03
 H   -2.104000      -1.748600     -5.0000002E-04
 H    5.252900     -0.3645000     -1.8000000E-03
 H    4.526900       1.995300     -5.0000002E-04
 H   -4.174300      -1.479100      4.5000002E-02
 H   -5.313600       1.178200     -0.5711000    
 H   -5.670400      0.4808000       1.033900    
 H   -6.169700     -0.3900000     -0.4454000    


%chk=000016007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016007

0 1
S 0.626206 -2.085631 -0.348643
O -2.738523 1.103024 -0.882731
N 0.051328 0.501508 0.259937
N -1.897690 -0.916623 0.057547
N -4.171534 -0.397908 0.209253
C 1.977091 -0.889740 -0.144180
C 1.452126 0.415540 0.146526
C -0.535060 -0.646540 0.040550
C 3.360877 -1.121838 -0.246345
C 2.343072 1.499372 0.323538
C 4.235784 -0.024602 -0.066326
C 3.730009 1.272001 0.214285
C -2.930473 0.037509 -0.249626
C -5.394950 0.357407 -0.083562
H 3.757840 -2.117837 -0.464540
H 1.935312 2.491008 0.539512
H -2.173672 -1.894073 0.168005
H 5.316561 -0.182217 -0.147901
H 4.426778 2.106375 0.347552
H -4.218042 -1.156089 0.891181
H -5.129481 1.162627 -0.786557
H -5.815941 0.818826 0.829315
H -6.160817 -0.290100 -0.547791


