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	hartrees
Energy at 0K	-40.725720
Energy at 298.15K
HF Energy	-40.725720
Nuclear repulsion energy	31.382408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1844	1787	585.64	10.14	0.27	0.43
2	A'	619	600	115.57	3.49	0.38	0.56
3	A'	340	329	72.71	17.08	0.36	0.53

Atom	x (Å)	y (Å)
Cl1	-0.538	-0.937
N2	0.000	0.973
O3	1.144	1.139

	Cl1	N2	O3
Cl1		1.9842	2.6721
N2	1.9842		1.1562
O3	2.6721	1.1562

Number	Element	Mulliken
1	Cl	-0.146
2	N	0.128
3	O	0.017

All results from a given calculation for ClNO (Nitrosyl chloride)

using model chemistry: B3LYP/CEP-121G*

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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	x	y	z	Total
	0.818	1.549	0.000	1.752
CHELPG
AIM
ESP

	x	y	z
x	3.597	1.985	0.000
y	1.985	5.956	0.000
z	0.000	0.000	1.887

<r²>	42.478
(<r²>)^1/2	6.517