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	hartrees
Energy at 0K	-130.430168
Energy at 298.15K	-130.431226
HF Energy	-130.430168
Nuclear repulsion energy	27.542355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3566	3428	32.79
2	A'	1163	1118	2.52
3	A'	1015	976	200.42

Atom	x (Å)	y (Å)
N1	0.057	0.803
O2	0.057	-0.582
H3	-0.855	-0.964

	N1	O2	H3
N1		1.3849	1.9883
O2	1.3849		0.9888
H3	1.9883	0.9888

Number	Element	Mulliken
1	N	0.021
2	O	-0.406
3	H	0.386

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3LYP/SDD

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
	-2.083	-1.258	0.000	2.433
CHELPG
AIM
ESP

	x	y	z
x	1.240	0.303	0.000
y	0.303	2.475	0.000
z	0.000	0.000	0.686

<r²>	15.853
(<r²>)^1/2	3.982