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	hartrees
Energy at 0K	-130.347120
Energy at 298.15K	-130.348209
HF Energy	-130.347120
Nuclear repulsion energy	28.933043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3574	69.31
2	A'	1272	1221	18.93
3	A'	1146	1101	167.75

Atom	x (Å)	y (Å)
N1	0.057	0.758
O2	0.057	-0.555
H3	-0.860	-0.869

	N1	O2	H3
N1		1.3123	1.8670
O2	1.3123		0.9692
H3	1.8670	0.9692

Number	Element	Mulliken
1	N	-0.033
2	O	-0.249
3	H	0.282

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
	-1.782	-1.405	0.000	2.269
CHELPG
AIM
ESP

	x	y	z
x	1.312	0.250	0.000
y	0.250	2.186	0.000
z	0.000	0.000	0.926

<r²>	14.868
(<r²>)^1/2	3.856