%chk=000268513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268513

0 1
S 2.608911 1.477380 0.000317
O 0.430933 -1.701080 -0.000417
N 2.688813 -1.172375 -0.000299
N 4.839700 -0.117971 0.000180
C -1.432049 0.649973 -0.000074
C -0.102740 1.296510 0.000140
C 1.058047 0.644610 0.000067
C -2.066777 0.361164 -1.216930
C -2.067278 0.361441 1.216591
C 1.285158 -0.859978 -0.000268
C -3.340700 -0.213412 -1.211747
C -3.341194 -0.213143 1.211016
C 3.481825 -0.126523 0.000000
C -3.979324 -0.498595 -0.000465
H -0.148744 2.394326 0.000403
H -1.564847 0.570721 -2.159640
H -1.565738 0.571218 2.159459
H -3.833375 -0.445441 -2.154827
H -3.834257 -0.444962 2.153945
H -4.970056 -0.949466 -0.000616
H 5.367593 0.738069 0.000163
H 5.353299 -0.990567 -0.000096


%chk=000268513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268513

0 1
S 2.705764 1.589377 0.001658
O 0.444694 -1.693662 -0.001597
N 2.754018 -1.156360 -0.001081
N 4.889427 -0.132096 -0.000996
C -1.442786 0.628079 0.000562
C -0.102079 1.292210 0.001248
C 1.106721 0.665700 0.000854
C -2.101385 0.344832 -1.223157
C -2.103446 0.346629 1.223585
C 1.366233 -0.842333 0.000004
C -3.394606 -0.222560 -1.222205
C -3.396646 -0.220819 1.221285
C 3.529191 -0.093268 -0.000333
C -4.046958 -0.506911 -0.000799
H -0.114959 2.392727 0.002131
H -1.594109 0.553475 -2.171551
H -1.597778 0.556664 2.172534
H -3.888661 -0.447411 -2.174057
H -3.892285 -0.444323 2.172632
H -5.049237 -0.949475 -0.001320
H 5.451465 0.715919 -0.000373
H 5.344619 -1.044496 -0.002122


