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	hartrees
Energy at 0K	-661.895091
Energy at 298.15K	-661.896507
HF Energy	-661.895091
Nuclear repulsion energy	146.193305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1454	1403	186.34
2	A'	793	765	1.26
3	A'	623	601	39.82
4	A'	521	502	30.51
5	A'	206	199	0.40
6	A"	361	348	1.35

Atom	x (Å)	y (Å)
Cl1	-1.292	-0.318
O2	0.000	0.988
N3	1.394	0.473
O4	1.526	-0.726

	Cl1	O2	N3	O4
Cl1		1.8375	2.8006	2.8472
O2	1.8375		1.4865	2.2948
N3	2.8006	1.4865		1.2061
O4	2.8472	2.2948	1.2061

Number	Element	Mulliken
1	Cl	0.093
2	O	-0.248
3	N	0.361
4	O	-0.206

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

using model chemistry: B3LYPultrafine/3-21G

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
	0.432	-0.244	0.000	0.496
CHELPG
AIM
ESP

	x	y	z
x	6.158	0.539	0.000
y	0.539	3.082	0.000
z	0.000	0.000	1.026

<r²>	93.554
(<r²>)^1/2	9.672