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	hartrees
Energy at 0K	-453.493451
Energy at 298.15K	-453.494546
HF Energy	-453.493451
Nuclear repulsion energy	45.141597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3171	2.33
2	A'	1213	1197	26.62
3	A'	1028	1015	2.76

Atom	x (Å)	y (Å)
N1	0.041	1.036
S2	0.041	-0.539
H3	-0.937	1.376

	N1	S2	H3
N1		1.5752	1.0352
S2	1.5752		2.1504
H3	1.0352	2.1504

Number	Element	Mulliken
1	N	-0.235
2	S	0.045
3	H	0.190

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

using model chemistry: B97D3/6-311+G(3df,2p)

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
	-1.347	-0.027	0.000	1.347
CHELPG
AIM
ESP

	x	y	z
x	3.946	-0.166	0.000
y	-0.166	5.665	0.000
z	0.000	0.000	3.132

<r²>	26.730
(<r²>)^1/2	5.170