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	hartrees
Energy at 0K	-590.141427
Energy at 298.15K
HF Energy	-590.141427
Nuclear repulsion energy	86.137104

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'	1946	1946	633.78	9.77	0.25	0.40
2	A'	637	637	121.25	2.64	0.41	0.58
3	A'	351	351	97.20	16.41	0.34	0.50

Atom	x (Å)	y (Å)
Cl1	-0.524	-0.921
N2	0.000	0.956
O3	1.113	1.121

	Cl1	N2	O3
Cl1		1.9489	2.6173
N2	1.9489		1.1255
O3	2.6173	1.1255

Number	Element	Mulliken
1	Cl	-0.219
2	N	0.226
3	O	-0.006

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

using model chemistry: mPW1PW91/Def2TZVPP

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
	0.875	1.601	0.000	1.824
CHELPG
AIM
ESP

	x	y	z
x	3.688	1.850	0.000
y	1.850	6.022	0.000
z	0.000	0.000	2.237

<r²>	59.707
(<r²>)^1/2	7.727