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	hartrees
Energy at 0K	-665.228291
Energy at 298.15K	-665.229894
HF Energy	-665.228291
Nuclear repulsion energy	154.332294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1801	1723	291.22
2	A'	890	851	0.75
3	A'	718	687	105.96
4	A'	511	488	37.17
5	A'	246	235	0.30
6	A"	419	401	1.50

Atom	x (Å)	y (Å)
Cl1	-1.228	-0.311
O2	0.000	0.913
N3	1.295	0.482
O4	1.477	-0.674

	Cl1	O2	N3	O4
Cl1		1.7345	2.6446	2.7299
O2	1.7345		1.3647	2.1683
N3	2.6446	1.3647		1.1698
O4	2.7299	2.1683	1.1698

Number	Element	Mulliken
1	Cl	0.124
2	O	-0.026
3	N	-0.090
4	O	-0.008

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

using model chemistry: B1B95/6-31+G**

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
	-0.322	-0.205	0.000	0.382
CHELPG
AIM
ESP

	x	y	z
x	7.037	0.378	0.000
y	0.378	4.212	0.000
z	0.000	0.000	2.689

<r²>	86.166
(<r²>)^1/2	9.283