%chk=000208827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208827

0 1
S -0.102303 -0.788485 -0.124748
O -0.498881 -1.121087 -1.461076
O 0.261147 -1.830378 0.809303
O -3.369493 1.016117 -0.048685
O -3.180308 -1.162988 0.563744
N 2.676009 -0.242647 -0.138893
N 1.388160 1.548594 -0.397887
N 3.469141 0.853947 -0.274033
N 2.680800 1.900371 -0.424295
C -1.253908 0.322387 0.607391
C 1.354355 0.192734 -0.218757
C -2.673634 -0.085286 0.385165
C 3.175565 -1.604861 0.062556
C -4.781554 0.817233 -0.342973
H -1.084922 0.424508 1.708198
H -1.108675 1.379842 0.244040
H 2.461071 -2.196221 0.687077
H 3.299703 -2.126537 -0.907778
H 4.159221 -1.595214 0.572711
H -4.878626 0.144560 -1.201866
H -5.116625 1.833354 -0.579928
H -5.292944 0.408658 0.534234


%chk=000208827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208827

0 1
S -0.037553 -1.025370 1.470217
O -0.491248 -2.186054 0.415016
O 0.759252 -1.412363 2.831432
O -2.013108 0.578664 -0.326451
O -3.795238 -0.154688 0.998594
N 1.771672 -0.055779 -0.610458
N 1.066558 1.523562 0.807923
N 2.362693 1.155969 -1.021833
N 1.925121 2.101796 -0.155633
C -1.561259 0.126443 1.961206
C 1.006001 0.215310 0.489194
C -2.593258 0.152090 0.859389
C 2.052617 -1.315790 -1.315958
C -2.908058 0.613219 -1.513889
H -1.940338 -0.341090 2.880540
H -1.072387 1.099847 2.131468
H 2.940828 -1.802777 -0.880753
H 1.179565 -1.979662 -1.214935
H 2.244557 -1.080407 -2.372453
H -3.276886 -0.402790 -1.730307
H -2.276523 0.992918 -2.327854
H -3.759710 1.285555 -1.320956


