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	hartrees
Energy at 0K	-129.814039
Energy at 298.15K	-129.815165
Nuclear repulsion energy	30.286427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2713	2672	179.43
2	A'	1675	1650	92.50
3	A'	1500	1477	4.42

Atom	x (Å)	y (Å)
H1	-0.961	0.928
N2	0.064	0.581
O3	0.064	-0.624

	H1	N2	O3
H1		1.0824	1.8601
N2	1.0824		1.2052
O3	1.8601	1.2052

Number	Element	Mulliken
1	H	0.252
2	N	-0.247
3	O	-0.005

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

using model chemistry: LSDA/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
	-1.531	0.874	0.000	1.763
CHELPG
AIM
ESP

	x	y	z
x	2.005	-0.445	0.000
y	-0.445	2.554	0.000
z	0.000	0.000	1.155

<r²>	0.000
(<r²>)^1/2	0.000