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	hartrees
Energy at 0K	-589.862913
Energy at 298.15K
HF Energy	-589.659180
Nuclear repulsion energy	84.514755

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'	1874	1789	494.62	7.89	0.24	0.39
2	A'	606	579	103.61	3.03	0.29	0.45
3	A'	338	323	73.51	15.50	0.31	0.47

Atom	x (Å)	y (Å)
Cl1	-0.530	-0.944
N2	0.000	0.981
O3	1.127	1.148

	Cl1	N2	O3
Cl1		1.9972	2.6687
N2	1.9972		1.1390
O3	2.6687	1.1390

Number	Element	Mulliken
1	Cl	-0.195
2	N	0.174
3	O	0.021

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

using model chemistry: B2PLYP/6-31G(2df,p)

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
	1.085	1.966	0.000	2.245
CHELPG
AIM
ESP

	x	y	z
x	3.698	1.859	-0.000
y	1.859	5.973	-0.000
z	-0.000	-0.000	2.271

<r²>	61.570
(<r²>)^1/2	7.847