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	hartrees
Energy at 0K	-453.471004
Energy at 298.15K	-453.472103
HF Energy	-453.471004
Nuclear repulsion energy	44.955311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3168	1.23
2	A'	1221	1175	25.89
3	A'	1055	1016	0.61

Atom	x (Å)	y (Å)
N1	0.040	1.022
S2	0.040	-0.536
H3	-0.910	1.424

	N1	S2	H3
N1		1.5585	1.0308
S2	1.5585		2.1778
H3	1.0308	2.1778

Number	Element	Mulliken
1	N	-0.403
2	S	0.106
3	H	0.297

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

using model chemistry: TPSSh/6-31+G**

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
	-1.662	-0.099	0.000	1.665
CHELPG
AIM
ESP

	x	y	z
x	2.886	-0.201	0.000
y	-0.201	5.215	0.000
z	0.000	0.000	2.118

<r²>	26.911
(<r²>)^1/2	5.188