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	hartrees
Energy at 0K	-452.110517
Energy at 298.15K	-452.111614
HF Energy	-452.110517
Nuclear repulsion energy	44.961394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3118	6.35
2	A'	1215	1192	27.57
3	A'	1058	1038	0.42

Atom	x (Å)	y (Å)
N1	0.041	1.040
S2	0.041	-0.541
H3	-0.950	1.375

	N1	S2	H3
N1		1.5807	1.0462
S2	1.5807		2.1567
H3	1.0462	2.1567

Number	Element	Mulliken
1	N	-0.496
2	S	0.152
3	H	0.344

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

using model chemistry: LSDA/6-31G*

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
	-1.639	-0.041	0.000	1.639
CHELPG
AIM
ESP

	x	y	z
x	2.290	-0.414	0.000
y	-0.414	4.410	0.000
z	0.000	0.000	1.777

<r²>	26.641
(<r²>)^1/2	5.162