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	hartrees
Energy at 0K	-452.461999
Energy at 298.15K	-452.463127
HF Energy	-452.461999
Nuclear repulsion energy	46.200022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3661	3304	7.78
2	A'	1333	1203	61.07
3	A'	1237	1117	2.80

Atom	x (Å)	y (Å)
N1	0.039	1.010
S2	0.039	-0.528
H3	-0.904	1.371

	N1	S2	H3
N1		1.5378	1.0103
S2	1.5378		2.1204
H3	1.0103	2.1204

Number	Element	Mulliken
1	N	-0.493
2	S	0.185
3	H	0.307

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

using model chemistry: HF/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
	-1.695	-0.039	0.000	1.696
CHELPG
AIM
ESP

	x	y	z
x	2.104	-0.368	0.000
y	-0.368	4.677	0.000
z	0.000	0.000	1.757

<r²>	26.009
(<r²>)^1/2	5.100