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	hartrees
Energy at 0K	-451.053325
Energy at 298.15K	-451.054410
HF Energy	-451.053325
Nuclear repulsion energy	44.109221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2884	2750	38.60
2	A'	1245	1187	23.07
3	A'	971	926	0.95

Atom	x (Å)	y (Å)
N1	0.042	1.059
S2	0.042	-0.551
H3	-0.969	1.411

	N1	S2	H3
N1		1.6099	1.0708
S2	1.6099		2.2077
H3	1.0708	2.2077

Number	Element	Mulliken
1	N	-0.424
2	S	0.139
3	H	0.285

All results from a given calculation for HNS (Sulfur imide)

using model chemistry: PBEPBE/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.669	0.028	0.000	1.669
CHELPG
AIM
ESP

	x	y	z
x	2.046	-0.527	0.000
y	-0.527	4.241	0.000
z	0.000	0.000	1.592

<r²>	27.253
(<r²>)^1/2	5.220