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	hartrees
Energy at 0K	-129.824202
Energy at 298.15K
HF Energy	-129.824202
Nuclear repulsion energy	31.336976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3025	61.64
2	A'	1966	1794	64.15
3	A'	1728	1577	37.26

Atom	x (Å)	y (Å)
H1	-0.914	0.901
N2	0.061	0.562
O3	0.061	-0.605

	H1	N2	O3
H1		1.0318	1.7939
N2	1.0318		1.1673
O3	1.7939	1.1673

Number	Element	Mulliken
1	H	0.165
2	N	0.055
3	O	-0.219

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

using model chemistry: ROHF/6-311G**

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
	-1.603	1.168	0.000	1.983
CHELPG
AIM
ESP

<r²>	13.674
(<r²>)^1/2	3.698