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	hartrees
Energy at 0K	-129.677468
Energy at 298.15K	-129.678531
HF Energy	-129.677468
Nuclear repulsion energy	27.271846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3458	3284	27.08
2	A'	1209	1148	16.60
3	A'	1012	961	140.88

Atom	x (Å)	y (Å)
N1	0.059	0.808
O2	0.059	-0.595
H3	-0.891	-0.898

	N1	O2	H3
N1		1.4024	1.9524
O2	1.4024		0.9976
H3	1.9524	0.9976

Number	Element	Mulliken
1	N	0.056
2	O	-0.454
3	H	0.398

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: mPW1PW91/3-21G*

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
	-1.977	-1.001	0.000	2.216
CHELPG
AIM
ESP

	x	y	z
x	1.101	0.332	0.000
y	0.332	2.073	0.000
z	0.000	0.000	0.521

<r²>	15.712
(<r²>)^1/2	3.964