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	hartrees
Energy at 0K	-665.211156
Energy at 298.15K	-665.212811
HF Energy	-665.211156
Nuclear repulsion energy	154.266266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1795	1718	262.96
2	A'	898	860	0.57
3	A'	717	687	101.54
4	A'	556	532	45.03
5	A'	264	252	0.09
6	A"	402	384	0.89

Atom	x (Å)	y (Å)
Cl1	-1.227	-0.307
O2	0.000	0.919
N3	1.300	0.474
O4	1.470	-0.681

	Cl1	O2	N3	O4
Cl1		1.7345	2.6450	2.7226
O2	1.7345		1.3740	2.1727
N3	2.6450	1.3740		1.1677
O4	2.7226	2.1727	1.1677

Number	Element	Mulliken
1	Cl	0.279
2	O	-0.466
3	N	0.484
4	O	-0.297

All results from a given calculation for ClONO (chlorine nitrite)

using model chemistry: wB97X-D/aug-cc-pVDZ

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
	-0.287	-0.156	0.000	0.326
CHELPG
AIM
ESP

	x	y	z
x	7.423	0.296	0.000
y	0.296	4.762	0.000
z	0.000	0.000	3.440

<r²>	86.037
(<r²>)^1/2	9.276