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	hartrees
Energy at 0K	-130.398045
Energy at 298.15K
HF Energy	-130.398045
Nuclear repulsion energy	30.118061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	2600	2549	263.18	199.37	0.32	0.49
2	A'	1624	1592	91.08	14.57	0.73	0.84
3	A'	1548	1518	16.45	34.51	0.61	0.76

Atom	x (Å)	y (Å)
H1	-0.967	0.928
N2	0.064	0.585
O3	0.064	-0.628

	H1	N2	O3
H1		1.0874	1.8668
N2	1.0874		1.2123
O3	1.8668	1.2123

Number	Element	Mulliken
1	H	0.259
2	N	-0.054
3	O	-0.205

All results from a given calculation for HNO (Nitrosyl hydride)

using model chemistry: B97D3/6-31G*

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
	-1.300	0.784	0.000	1.518
CHELPG
AIM
ESP

	x	y	z
x	1.692	-0.545	0.000
y	-0.545	2.170	0.000
z	0.000	0.000	0.858

<r²>	14.238
(<r²>)^1/2	3.773