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	hartrees
Energy at 0K	-130.439326
Energy at 298.15K	-130.440409
HF Energy	-130.439326
Nuclear repulsion energy	28.606416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3653	3509	47.10
2	A'	1247	1198	4.08
3	A'	1127	1083	173.02

Atom	x (Å)	y (Å)
N1	0.058	0.767
O2	0.058	-0.562
H3	-0.867	-0.875

	N1	O2	H3
N1		1.3286	1.8841
O2	1.3286		0.9765
H3	1.8841	0.9765

Number	Element	Mulliken
1	N	-0.011
2	O	-0.338
3	H	0.350

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3LYPultrafine/6-31G**

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
	-1.750	-1.425	0.000	2.257
CHELPG
AIM
ESP

	x	y	z
x	1.302	0.275	0.000
y	0.275	2.181	0.000
z	0.000	0.000	0.879

<r²>	14.983
(<r²>)^1/2	3.871