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	hartrees
Energy at 0K	-129.780658
Energy at 298.15K	-129.781741
HF Energy	-129.780658
Nuclear repulsion energy	27.966366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4003	3602	82.42
2	A'	1277	1149	42.39
3	A'	1112	1001	185.33

Atom	x (Å)	y (Å)
N1	0.055	0.794
O2	0.055	-0.575
H3	-0.822	-0.959

	N1	O2	H3
N1		1.3684	1.9601
O2	1.3684		0.9576
H3	1.9601	0.9576

Number	Element	Mulliken
1	N	0.147
2	O	-0.564
3	H	0.417

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: HF/LANL2DZ

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
	-2.150	-0.729	0.000	2.270
CHELPG
AIM
ESP

	x	y	z
x	1.220	0.257	0.000
y	0.257	2.127	0.000
z	0.000	0.000	0.744

<r²>	15.660
(<r²>)^1/2	3.957