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	hartrees
Energy at 0K	-130.470319
Energy at 298.15K	-130.471404
HF Energy	-130.470319
Nuclear repulsion energy	28.692989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3610	3489	31.92
2	A'	1251	1209	0.25
3	A'	1140	1101	186.69

Atom	x (Å)	y (Å)
N1	0.057	0.765
O2	0.057	-0.558
H3	-0.858	-0.893

	N1	O2	H3
N1		1.3235	1.8939
O2	1.3235		0.9742
H3	1.8939	0.9742

Number	Element	Mulliken
1	N	-0.017
2	O	-0.402
3	H	0.420

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3LYPultrafine/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
	-1.878	-1.427	0.000	2.358
CHELPG
AIM
ESP

	x	y	z
x	1.283	0.277	0.000
y	0.277	2.235	0.000
z	0.000	0.000	0.872

<r²>	15.045
(<r²>)^1/2	3.879