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	hartrees
Energy at 0K	-129.038290
Energy at 298.15K
HF Energy	-129.038290
Nuclear repulsion energy	30.234275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	2925	44.01
2	A'	1677	1523	56.30
3	A'	1631	1481	14.93

Atom	x (Å)	y (Å)
H1	-0.915	0.932
N2	0.061	0.587
O3	0.061	-0.630

	H1	N2	O3
H1		1.0355	1.8417
N2	1.0355		1.2166
O3	1.8417	1.2166

Number	Element	Mulliken
1	H	0.315
2	N	0.005
3	O	-0.320

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

using model chemistry: ROHF/3-21G*

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
	-1.836	1.287	0.000	2.242
CHELPG
AIM
ESP

<r²>	14.157
(<r²>)^1/2	3.763