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	hartrees
Energy at 0K	-129.843246
Energy at 298.15K
HF Energy	-129.843246
Nuclear repulsion energy	31.375154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3311	55.51
2	A'	1935	1935	72.40
3	A'	1707	1707	39.00

Atom	x (Å)	y (Å)
H1	-0.911	0.903
N2	0.061	0.562
O3	0.061	-0.604

	H1	N2	O3
H1		1.0300	1.7932
N2	1.0300		1.1659
O3	1.7932	1.1659

Number	Element	Mulliken
1	H	0.586
2	N	-0.143
3	O	-0.443

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

using model chemistry: ROHF/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
	-1.526	1.098	0.000	1.880
CHELPG
AIM
ESP

<r²>	13.754
(<r²>)^1/2	3.709