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	hartrees
Energy at 0K	-26.348688
Energy at 298.15K	-26.349778
HF Energy	-26.348688
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3720	45.23
2	A'	1262	1262	19.04
3	A'	1176	1176	180.96

Atom	x (Å)	y (Å)
N1	0.058	0.769
O2	0.058	-0.564
H3	-0.866	-0.875

	N1	O2	H3
N1		1.3329	1.8856
O2	1.3329		0.9744
H3	1.8856	0.9744

Number	Element	Mulliken
1	N	-0.040
2	O	-0.398
3	H	0.438

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: wB97X-D/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
	-1.863	-1.365	0.000	2.310
CHELPG
AIM
ESP

	x	y	z
x	1.425	0.238	0.000
y	0.238	2.378	0.000
z	0.000	0.000	1.067

<r²>	13.266
(<r²>)^1/2	3.642