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	hartrees
Energy at 0K	-590.098696
Energy at 298.15K
HF Energy	-590.098696
Nuclear repulsion energy	85.997732

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'	1962	1879	585.79	6.79	0.25	0.39
2	A'	634	607	117.52	2.99	0.30	0.46
3	A'	352	337	90.11	15.61	0.30	0.46

Atom	x (Å)	y (Å)
Cl1	-0.526	-0.920
N2	0.000	0.959
O3	1.118	1.116

	Cl1	N2	O3
Cl1		1.9520	2.6175
N2	1.9520		1.1293
O3	2.6175	1.1293

Number	Element	Mulliken
1	Cl	-0.168
2	N	0.170
3	O	-0.001

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

using model chemistry: B1B95/6-31G(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
	0.912	1.682	0.000	1.913
CHELPG
AIM
ESP

	x	y	z
x	3.625	1.730	0.000
y	1.730	5.709	0.000
z	0.000	0.000	2.265

<r²>	59.602
(<r²>)^1/2	7.720