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	hartrees
Energy at 0K	-130.391879
Energy at 298.15K	-130.392970
HF Energy	-130.391879
Nuclear repulsion energy	28.899852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3560	83.55
2	A'	1293	1232	23.07
3	A'	1165	1109	168.10

Atom	x (Å)	y (Å)
N1	0.057	0.758
O2	0.057	-0.555
H3	-0.862	-0.865

	N1	O2	H3
N1		1.3139	1.8664
O2	1.3139		0.9707
H3	1.8664	0.9707

Number	Element	Mulliken
1	N	-0.006
2	O	-0.351
3	H	0.357

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: M06-2X/6-31G(2df,p)

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
	-1.656	-1.379	0.000	2.155
CHELPG
AIM
ESP

	x	y	z
x	1.433	0.236	0.000
y	0.236	2.219	0.000
z	0.000	0.000	1.127

<r²>	14.789
(<r²>)^1/2	3.846