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	hartrees
Energy at 0K	-664.975780
Energy at 298.15K	-664.977305
HF Energy	-664.975780
Nuclear repulsion energy	153.106280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1787	1715	316.48
2	A'	907	870	13.63
3	A'	763	732	67.52
4	A'	397	381	54.74
5	A'	221	212	5.31
6	A"	455	437	1.91

Atom	x (Å)	y (Å)
Cl1	-1.246	-0.369
O2	0.000	0.913
N3	1.269	0.536
O4	1.537	-0.598

	Cl1	O2	N3	O4
Cl1		1.7880	2.6733	2.7928
O2	1.7880		1.3241	2.1554
N3	2.6733	1.3241		1.1650
O4	2.7928	2.1554	1.1650

Number	Element	Mulliken
1	Cl	0.092
2	O	-0.231
3	N	0.296
4	O	-0.157

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

using model chemistry: HSEh1PBE/6-311G*

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
x	6.865	0.773	0.000
y	0.773	3.520	0.000
z	0.000	0.000	1.658

<r²>	88.263
(<r²>)^1/2	9.395