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	hartrees
Energy at 0K	-665.007381
Energy at 298.15K	-665.008917
HF Energy	-665.007381
Nuclear repulsion energy	148.577480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1686	1686	266.06
2	A'	846	846	1.40
3	A'	659	659	42.05
4	A'	566	566	82.26
5	A'	236	236	0.12
6	A"	370	370	2.80

Atom	x (Å)	y (Å)
Cl1	-1.285	-0.346
O2	0.000	0.943
N3	1.345	0.514
O4	1.554	-0.657

	Cl1	O2	N3	O4
Cl1		1.8206	2.7677	2.8565
O2	1.8206		1.4122	2.2303
N3	2.7677	1.4122		1.1886
O4	2.8565	2.2303	1.1886

Number	Element	Mulliken
1	Cl	0.189
2	O	-0.379
3	N	0.393
4	O	-0.204

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

using model chemistry: M06-2X/6-31G

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
	-0.049	-0.436	0.000	0.439
CHELPG
AIM
ESP

	x	y	z
x	6.425	0.647	0.000
y	0.647	3.381	0.000
z	0.000	0.000	1.311

<r²>	92.602
(<r²>)^1/2	9.623