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	hartrees
Energy at 0K	-448.078797
Energy at 298.15K	-448.079879
HF Energy	-448.078797
Nuclear repulsion energy	42.955055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3051	2788	105.93
2	A'	1353	1236	7.84
3	A'	1064	972	1.85

Atom	x (Å)	y (Å)
N1	0.045	1.090
S2	0.045	-0.564
H3	-1.029	1.388

	N1	S2	H3
N1		1.6542	1.1141
S2	1.6542		2.2279
H3	1.1141	2.2279

Number	Element	Mulliken
1	N	-0.289
2	S	0.165
3	H	0.124

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

using model chemistry: PBEPBE/STO-3G

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
	-1.254	-0.580	0.000	1.382
CHELPG
AIM
ESP

	x	y	z
x	0.792	-0.501	0.000
y	-0.501	2.608	0.000
z	0.000	0.000	0.748

<r²>	26.620
(<r²>)^1/2	5.159