%chk=000229982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229982

0 1
S -3.587495 -0.466483 0.000327
O 1.289550 2.831220 -0.000274
O 3.830651 -0.988961 -0.001081
N -0.961152 -1.280108 0.000598
N 1.567479 -1.305075 0.000537
N -1.242261 1.001850 0.000478
N 2.521449 0.925646 -0.000073
C 0.310313 -0.707428 0.000752
C 0.124443 0.701859 0.000619
C -1.873104 -0.179108 0.000569
C 1.240640 1.627998 0.000336
C -1.311566 -2.702064 0.001724
C 2.734783 -0.466232 0.000323
C -4.256952 1.205626 -0.001463
H 1.691028 -2.316010 0.000120
H -1.911360 -2.954917 -0.896673
H -0.417728 -3.346458 0.006268
H -1.917965 -2.951954 0.896518
H 3.371177 1.512417 -0.000798
H -3.935854 1.775010 -0.886621
H -3.935467 1.777059 0.882252
H -5.352208 1.135412 -0.001137


%chk=000229982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229982

0 1
S -3.658325 -0.530980 -0.000663
O 1.237389 2.878920 -0.002078
O 3.869034 -1.011712 -0.000191
N -0.955856 -1.280252 0.000692
N 1.544311 -1.283749 0.001169
N -1.288280 0.990853 -0.001121
N 2.478201 0.889823 -0.000099
C 0.298682 -0.681023 0.000637
C 0.091587 0.709529 -0.000141
C -1.883582 -0.204424 -0.000253
C 1.224662 1.621247 -0.000209
C -1.291105 -2.709821 0.001345
C 2.720562 -0.491676 0.001327
C -4.239226 1.261424 -0.000534
H 1.695478 -2.293342 0.001107
H -1.873103 -2.969455 -0.899791
H -0.371530 -3.317325 0.007688
H -1.882662 -2.965805 0.897265
H 3.319165 1.475952 -0.001276
H -3.858825 1.764144 -0.899820
H -3.859662 1.763804 0.899299
H -5.338511 1.213169 -0.001054


