%chk=000216901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216901

0 1
S 2.061762 1.328526 -0.000944
O -2.386588 1.056247 -0.001605
N -1.007534 1.268088 -0.002016
N -3.907633 -0.729895 0.000411
C -0.393601 0.067346 -0.000632
C 1.038215 -0.082654 -0.000493
C -1.376875 -0.994905 0.000078
C 1.799801 -1.221497 -0.000095
C -2.595541 -0.342690 -0.000290
C 3.214201 -0.950537 0.000075
C 3.511630 0.381315 -0.000221
H -1.168837 -2.040953 0.001108
H 1.405093 -2.228232 0.000093
H 3.944812 -1.748261 0.000398
H 4.484035 0.843613 -0.000206
H -4.152420 -1.703174 -0.000061
H -4.642920 -0.045138 -0.001100


%chk=000216901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216901

0 1
S 2.109520 1.419443 -0.001115
O -2.435024 1.051268 -0.001428
N -0.979544 1.329030 -0.001642
N -3.921206 -0.765824 -0.000161
C -0.410281 0.087244 -0.000673
C 1.038206 -0.045433 -0.000488
C -1.381229 -0.977851 -0.000002
C 1.798256 -1.212833 0.000079
C -2.616583 -0.337876 -0.000485
C 3.218594 -0.985608 0.000121
C 3.556706 0.358931 -0.000378
H -1.188047 -2.046293 0.000800
H 1.349225 -2.209352 0.000463
H 3.960953 -1.787156 0.000553
H 4.543886 0.817820 -0.000439
H -4.142188 -1.755943 0.000021
H -4.673641 -0.082368 -0.000726


