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	hartrees
Energy at 0K	-130.360304
Energy at 298.15K	-130.361390
HF Energy	-130.360304
Nuclear repulsion energy	28.877096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3550	68.68
2	A'	1253	1203	16.19
3	A'	1135	1090	177.22

Atom	x (Å)	y (Å)
N1	0.057	0.759
O2	0.057	-0.555
H3	-0.860	-0.874

	N1	O2	H3
N1		1.3147	1.8733
O2	1.3147		0.9712
H3	1.8733	0.9712

Number	Element	Mulliken
1	N	-0.085
2	O	-0.219
3	H	0.304

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: HSEh1PBE/TZVP

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
	-1.830	-1.440	0.000	2.329
CHELPG
AIM
ESP

	x	y	z
x	1.471	0.237	0.000
y	0.237	2.397	0.000
z	0.000	0.000	1.155

<r²>	15.033
(<r²>)^1/2	3.877