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	hartrees
Energy at 0K	-130.346052
Energy at 298.15K
HF Energy	-130.346052
Nuclear repulsion energy	30.140273

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'	2608	2581	217.12	186.44	0.32	0.48
2	A'	1615	1598	88.21	12.57	0.72	0.83
3	A'	1517	1501	12.32	27.15	0.59	0.74

Atom	x (Å)	y (Å)
H1	-0.968	0.932
N2	0.065	0.584
O3	0.065	-0.627

	H1	N2	O3
H1		1.0893	1.8697
N2	1.0893		1.2108
O3	1.8697	1.2108

Number	Element	Mulliken
1	H	0.215
2	N	-0.066
3	O	-0.149

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

using model chemistry: PBEPBE/6-31G(2df,p)

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
	-1.204	0.719	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	1.869	-0.512	0.000
y	-0.512	2.237	0.000
z	0.000	0.000	1.102

<r²>	14.218
(<r²>)^1/2	3.771