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	hartrees
Energy at 0K	-665.324207
Energy at 298.15K	-665.325606
HF Energy	-665.324207
Nuclear repulsion energy	150.848526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1729	1672	317.74
2	A'	885	855	15.78
3	A'	727	703	55.43
4	A'	329	318	62.99
5	A'	195	189	13.53
6	A"	450	435	1.99

Atom	x (Å)	y (Å)
Cl1	-1.269	-0.398
O2	0.000	0.923
N3	1.277	0.562
O4	1.580	-0.569

	Cl1	O2	N3	O4
Cl1		1.8325	2.7214	2.8547
O2	1.8325		1.3267	2.1731
N3	2.7214	1.3267		1.1711
O4	2.8547	2.1731	1.1711

Number	Element	Mulliken
1	Cl	0.071
2	O	-0.218
3	N	0.290
4	O	-0.144

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

using model chemistry: B3LYP/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
	0.155	-0.014	0.000	0.155
CHELPG
AIM
ESP

	x	y	z
x	7.274	0.935	0.000
y	0.935	3.613	0.000
z	0.000	0.000	1.652

<r²>	90.991
(<r²>)^1/2	9.539