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	hartrees
Energy at 0K	-129.583482
Energy at 298.15K	-129.584545
HF Energy	-129.583482
Nuclear repulsion energy	27.270998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3439	3313	24.60
2	A'	1208	1163	16.17
3	A'	1010	973	140.66

Atom	x (Å)	y (Å)
N1	0.059	0.808
O2	0.059	-0.594
H3	-0.892	-0.898

	N1	O2	H3
N1		1.4021	1.9529
O2	1.4021		0.9988
H3	1.9529	0.9988

Number	Element	Mulliken
1	N	0.054
2	O	-0.451
3	H	0.397

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: HSEh1PBE/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
	-1.973	-1.012	0.000	2.217
CHELPG
AIM
ESP

	x	y	z
x	1.108	0.337	0.000
y	0.337	2.075	0.000
z	0.000	0.000	0.521

<r²>	15.719
(<r²>)^1/2	3.965