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	hartrees
Energy at 0K	-130.389038
Energy at 298.15K	-130.390128
HF Energy	-130.389038
Nuclear repulsion energy	28.817117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3653	3468	56.99
2	A'	1288	1223	8.14
3	A'	1169	1110	179.50

Atom	x (Å)	y (Å)
N1	0.058	0.760
O2	0.058	-0.557
H3	-0.866	-0.871

	N1	O2	H3
N1		1.3170	1.8745
O2	1.3170		0.9754
H3	1.8745	0.9754

Number	Element	Mulliken
1	N	-0.008
2	O	-0.437
3	H	0.444

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B1B95/6-31G*

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
	-1.794	-1.421	0.000	2.289
CHELPG
AIM
ESP

	x	y	z
x	1.273	0.261	0.000
y	0.261	2.132	0.000
z	0.000	0.000	0.869

<r²>	14.843
(<r²>)^1/2	3.853