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	hartrees
Energy at 0K	-663.179493
Energy at 298.15K	-663.180979
HF Energy	-663.179493
Nuclear repulsion energy	148.735372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1772	1750	258.86
2	A'	1201	1186	136.79
3	A'	787	777	92.85
4	A'	335	331	124.40
5	A'	164	162	8.88
6	A"	518	512	1.89

Atom	x (Å)	y (Å)
Cl1	-1.272	-0.549
O2	0.000	0.978
N3	1.185	0.674
O4	1.666	-0.400

	Cl1	O2	N3	O4
Cl1		1.9870	2.7439	2.9410
O2	1.9870		1.2230	2.1612
N3	2.7439	1.2230		1.1762
O4	2.9410	2.1612	1.1762

Number	Element	Mulliken
1	Cl	-0.088
2	O	-0.119
3	N	0.317
4	O	-0.110

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

using model chemistry: LSDA/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
	1.260	0.811	0.000	1.498
CHELPG
AIM
ESP

	x	y	z
x	8.013	1.609	0.000
y	1.609	4.037	0.000
z	0.000	0.000	1.648

<r²>	94.794
(<r²>)^1/2	9.736