%chk=000296496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296496

0 1
S -2.873724 0.277881 -0.366715
O 3.942503 0.078929 -0.124525
O -3.481151 0.512805 -1.925786
O -3.139473 1.499976 0.341036
O -3.454701 -0.950718 0.103286
N 1.101729 0.262907 0.045604
C -0.304237 -0.052495 0.461496
C 1.755344 -0.809114 -0.771149
C 1.965137 0.600827 1.225137
C -1.199922 0.100394 -0.789596
C 3.118462 -0.281837 -1.251374
C 3.327138 1.087522 0.702228
C -0.502230 -1.422925 1.115520
H -0.593452 0.748983 1.202001
H 1.111446 -1.041448 -1.644213
H 1.901768 -1.755179 -0.205363
H 2.112443 -0.259930 1.912707
H 1.475889 1.411598 1.806410
H -1.037354 -0.752755 -1.483479
H -0.829610 0.975584 -1.381176
H 3.719500 -1.065768 -1.744211
H 3.009841 0.594710 -1.914026
H 3.231951 2.021284 0.120177
H 4.065249 1.212440 1.513737
H -0.242747 -2.253386 0.449414
H -1.548841 -1.594585 1.415245
H 0.107147 -1.529216 2.020122
H -4.416605 0.738515 -2.004207


%chk=000296496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296496

0 1
S -2.980983 0.095717 -0.420581
O 4.027286 0.125427 -0.120674
O -3.422405 1.237052 -1.839689
O -3.297251 0.825338 0.991311
O -3.609478 -1.371627 -0.700882
N 1.142625 0.138136 0.080501
C -0.269405 -0.110958 0.474765
C 1.856572 -0.985605 -0.578287
C 1.982205 0.768942 1.132010
C -1.084416 0.178474 -0.801526
C 3.181997 -0.471551 -1.167572
C 3.311461 1.241574 0.518019
C -0.559405 -1.493343 1.109665
H -0.534558 0.669435 1.213753
H 1.235106 -1.401233 -1.393166
H 2.079293 -1.810222 0.138920
H 2.199805 0.058041 1.965895
H 1.444363 1.638888 1.552462
H -0.967429 -0.561388 -1.608988
H -0.948169 1.207460 -1.163408
H 3.775988 -1.298970 -1.589268
H 2.971538 0.281416 -1.957286
H 3.111910 2.037060 -0.231854
H 3.993430 1.624704 1.294733
H -0.467919 -2.315538 0.378201
H -1.579312 -1.528770 1.531045
H 0.147983 -1.681542 1.936862
H -4.419332 1.258079 -1.916663


