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	hartrees
Energy at 0K	-130.456997
Energy at 298.15K
HF Energy	-130.456997
Nuclear repulsion energy	30.356168

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'	2662	2662	230.12	325.74	0.33	0.49
2	A'	1604	1604	99.93	16.33	0.74	0.85
3	A'	1519	1519	12.66	35.18	0.36	0.53

Atom	x (Å)	y (Å)
H1	-0.955	0.928
N2	0.064	0.580
O3	0.064	-0.623

	H1	N2	O3
H1		1.0767	1.8559
N2	1.0767		1.2029
O3	1.8559	1.2029

Number	Element	Mulliken
1	H	0.431
2	N	0.002
3	O	-0.432

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

using model chemistry: B97D3/daug-cc-pVTZ

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
	-1.275	0.793	0.000	1.502
CHELPG
AIM
ESP

	x	y	z
x	2.560	-0.459	0.000
y	-0.459	2.938	0.000
z	0.000	0.000	1.655

<r²>	14.362
(<r²>)^1/2	3.790