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	hartrees
Energy at 0K	-26.323262
Energy at 298.15K	-26.324326
HF Energy	-26.323262
Nuclear repulsion energy	15.933152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3533	3443	25.47
2	A'	1158	1129	0.65
3	A'	1025	999	198.09

Atom	x (Å)	y (Å)
N1	0.057	0.807
O2	0.057	-0.586
H3	-0.858	-0.960

	N1	O2	H3
N1		1.3933	1.9906
O2	1.3933		0.9890
H3	1.9906	0.9890

Number	Element	Mulliken
1	N	0.034
2	O	-0.405
3	H	0.371

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3LYP/CEP-121G

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
	-2.092	-1.125	0.000	2.376
CHELPG
AIM
ESP

	x	y	z
x	1.366	0.316	0.000
y	0.316	2.596	0.000
z	0.000	0.000	0.892

<r²>	13.983
(<r²>)^1/2	3.739