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	hartrees
Energy at 0K	-130.413082
Energy at 298.15K
HF Energy	-130.413082
Nuclear repulsion energy	30.551734

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'	2958	2802	140.23	194.72	0.34	0.50
2	A'	1788	1693	69.93	14.86	0.72	0.84
3	A'	1613	1528	14.61	19.07	0.65	0.79

Atom	x (Å)	y (Å)
H1	-0.947	0.906
N2	0.063	0.578
O3	0.063	-0.619

	H1	N2	O3
H1		1.0618	1.8294
N2	1.0618		1.1974
O3	1.8294	1.1974

Number	Element	Mulliken
1	H	0.296
2	N	-0.069
3	O	-0.227

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

using model chemistry: M06-2X/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
	-1.468	0.914	0.000	1.730
CHELPG
AIM
ESP

	x	y	z
x	1.540	-0.448	0.000
y	-0.448	2.083	0.000
z	0.000	0.000	0.842

<r²>	14.023
(<r²>)^1/2	3.745