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	hartrees
Energy at 0K	-664.965552
Energy at 298.15K	-664.966933
HF Energy	-664.965552
Nuclear repulsion energy	146.247030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1654	1635	299.06
2	A'	1061	1049	97.63
3	A'	759	750	77.44
4	A'	301	298	103.63
5	A'	153	151	14.57
6	A"	492	487	1.39

Atom	x (Å)	y (Å)
Cl1	-1.312	-0.543
O2	0.000	0.959
N3	1.219	0.679
O4	1.722	-0.398

	Cl1	O2	N3	O4
Cl1		1.9946	2.8113	3.0377
O2	1.9946		1.2510	2.1921
N3	2.8113	1.2510		1.1884
O4	3.0377	2.1921	1.1884

Number	Element	Mulliken
1	Cl	-0.080
2	O	-0.021
3	N	0.155
4	O	-0.054

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

using model chemistry: PBEPBE/TZVP

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
	0.899	0.606	0.000	1.084
CHELPG
AIM
ESP

	x	y	z
x	8.699	1.562	0.000
y	1.562	4.470	0.000
z	0.000	0.000	2.024

<r²>	98.141
(<r²>)^1/2	9.907