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	hartrees
Energy at 0K	-130.480044
Energy at 298.15K
HF Energy	-130.480044
Nuclear repulsion energy	30.363925

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'	2745	2662	195.81	232.82	0.32	0.49
2	A'	1683	1632	86.39	16.08	0.75	0.86
3	A'	1555	1509	8.87	21.70	0.60	0.75

Atom	x (Å)	y (Å)
H1	-0.959	0.920
N2	0.064	0.580
O3	0.064	-0.623

	H1	N2	O3
H1		1.0775	1.8505
N2	1.0775		1.2027
O3	1.8505	1.2027

Number	Element	Mulliken
1	H	0.095
2	N	0.058
3	O	-0.153

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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
	-1.346	0.881	0.000	1.609
CHELPG
AIM
ESP

	x	y	z
x	1.494	-0.479	0.000
y	-0.479	2.113	0.000
z	0.000	0.000	0.821

<r²>	14.055
(<r²>)^1/2	3.749