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	hartrees
Energy at 0K	-130.537008
Energy at 298.15K
HF Energy	-130.537008
Nuclear repulsion energy	30.557312

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'	2862	2773	146.11	274.90	0.32	0.49
2	A'	1667	1615	88.49	15.65	0.73	0.85
3	A'	1561	1513	8.19	17.24	0.33	0.49

Atom	x (Å)	y (Å)
H1	-0.941	0.921
N2	0.063	0.577
O3	0.063	-0.620

	H1	N2	O3
H1		1.0611	1.8391
N2	1.0611		1.1966
O3	1.8391	1.1966

Number	Element	Mulliken
1	H	0.282
2	N	-0.009
3	O	-0.273

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

using model chemistry: B3LYP/aug-cc-pVQZ

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
	-1.383	0.894	0.000	1.647
CHELPG
AIM
ESP

	x	y	z
x	2.330	-0.378	0.000
y	-0.378	2.826	0.000
z	0.000	0.000	1.608

<r²>	14.273
(<r²>)^1/2	3.778