%chk=000242647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242647

0 1
S -2.248946 -1.186354 0.006850
O -3.909291 1.458020 0.268377
O 4.342771 1.052594 -1.275319
O 4.829771 -0.521374 0.125948
O -4.943203 0.541382 -1.496180
N 4.043014 0.236711 -0.418499
C -0.048268 0.028343 0.771143
C -1.477445 -0.040105 1.191756
C 0.351936 0.943706 -0.219379
C 0.902247 -0.822240 1.364051
C 2.625387 0.162620 -0.008512
C 1.686335 1.014006 -0.612805
C 2.239426 -0.758993 0.977529
C -4.011856 -0.889997 0.260839
C -4.362032 0.368665 -0.456023
H -1.602732 -0.407509 2.228674
H -1.980223 0.954652 1.154152
H -0.385341 1.596458 -0.689677
H 0.595187 -1.540009 2.125873
H 2.010918 1.721344 -1.384574
H 2.989725 -1.416684 1.431042
H -4.281109 -0.846088 1.336334
H -4.567658 -1.756179 -0.169416
H -4.117313 2.323828 -0.176384


%chk=000242647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242647

0 1
S -2.327604 -1.194715 -0.206696
O -4.171334 1.539628 0.295567
O 4.562883 1.092310 -1.197277
O 5.003530 -0.574018 0.296968
O -5.444249 0.452511 -1.321040
N 4.194571 0.229132 -0.310051
C 0.021895 0.029342 0.696119
C -1.442639 -0.039275 1.047709
C 0.484761 0.951238 -0.281623
C 0.957808 -0.833121 1.326749
C 2.752682 0.156447 0.033907
C 1.848940 1.024536 -0.618064
C 2.327237 -0.776623 1.003806
C -4.130113 -0.867741 0.301834
C -4.670344 0.386613 -0.344626
H -1.604633 -0.464060 2.051853
H -1.941646 0.939086 0.967644
H -0.233447 1.610514 -0.780829
H 0.608256 -1.552589 2.075350
H 2.224765 1.729370 -1.364137
H 3.062099 -1.430011 1.480996
H -4.173552 -0.801929 1.400339
H -4.702380 -1.736914 -0.052005
H -4.526184 2.347066 -0.166693


