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	hartrees
Energy at 0K	-130.340200
Energy at 298.15K	-130.341292
HF Energy	-130.340200
Nuclear repulsion energy	28.928574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3676	3527	39.43
2	A'	1286	1235	3.15
3	A'	1177	1130	192.29

Atom	x (Å)	y (Å)
N1	0.057	0.759
O2	0.057	-0.553
H3	-0.854	-0.888

	N1	O2	H3
N1		1.3115	1.8812
O2	1.3115		0.9700
H3	1.8812	0.9700

Number	Element	Mulliken
1	N	-0.014
2	O	-0.416
3	H	0.429

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: HSEh1PBE/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
	-1.891	-1.434	0.000	2.373
CHELPG
AIM
ESP

	x	y	z
x	1.278	0.263	0.000
y	0.263	2.178	0.000
z	0.000	0.000	0.881

<r²>	14.895
(<r²>)^1/2	3.859