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	hartrees
Energy at 0K	-663.542306
Energy at 298.15K	-663.544145
HF Energy	-663.542306
Nuclear repulsion energy	157.545898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2026	1840	308.58
2	A'	1026	932	100.59
3	A'	855	777	229.77
4	A'	740	672	9.35
5	A'	308	280	0.23
6	A"	361	328	3.82

Atom	x (Å)	y (Å)
Cl1	-1.215	-0.284
O2	0.000	0.877
N3	1.289	0.453
O4	1.455	-0.670

	Cl1	O2	N3	O4
Cl1		1.6802	2.6100	2.6979
O2	1.6802		1.3566	2.1232
N3	2.6100	1.3566		1.1347
O4	2.6979	2.1232	1.1347

Number	Element	Mulliken
1	Cl	0.197
2	O	-0.382
3	N	0.403
4	O	-0.219

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

using model chemistry: HF/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	Total
	-0.306	-0.381	0.000	0.488
CHELPG
AIM
ESP

	x	y	z
x	5.204	0.414	0.000
y	0.414	3.240	0.000
z	0.000	0.000	1.622

<r²>	84.038
(<r²>)^1/2	9.167