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	hartrees
Energy at 0K	-130.326565
Energy at 298.15K
HF Energy	-130.326565
Nuclear repulsion energy	30.475744

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'	2886	2750	175.23	186.48	0.33	0.50
2	A'	1747	1665	78.92	14.34	0.73	0.84
3	A'	1605	1530	9.89	21.81	0.64	0.78

Atom	x (Å)	y (Å)
H1	-0.949	0.915
N2	0.063	0.579
O3	0.063	-0.621

	H1	N2	O3
H1		1.0664	1.8391
N2	1.0664		1.1997
O3	1.8391	1.1997

Number	Element	Mulliken
1	H	0.292
2	N	-0.071
3	O	-0.220

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

using model chemistry: PBE1PBE/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
	-1.430	0.876	0.000	1.677
CHELPG
AIM
ESP

	x	y	z
x	1.562	-0.472	0.000
y	-0.472	2.102	0.000
z	0.000	0.000	0.851

<r²>	14.057
(<r²>)^1/2	3.749