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	hartrees
Energy at 0K	-590.135725
Energy at 298.15K
HF Energy	-590.135725
Nuclear repulsion energy	84.452677

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'	1920	1864	625.82	7.08	0.44	0.61
2	A'	609	591	104.75	3.70	0.16	0.28
3	A'	336	326	76.62	18.80	0.24	0.39

Atom	x (Å)	y (Å)
Cl1	-0.529	-0.947
N2	0.000	0.982
O3	1.124	1.153

	Cl1	N2	O3
Cl1		2.0006	2.6733
N2	2.0006		1.1374
O3	2.6733	1.1374

Number	Element	Mulliken
1	Cl	-0.041
2	N	0.218
3	O	-0.176

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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
	0.927	1.789	0.000	2.015
CHELPG
AIM
ESP

	x	y	z
x	4.598	1.823	0.000
y	1.823	6.903	0.000
z	0.000	0.000	3.167

<r²>	62.032
(<r²>)^1/2	7.876