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	hartrees
Energy at 0K	-588.359662
Energy at 298.15K	-588.360358
HF Energy	-588.359662
Nuclear repulsion energy	85.188188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1898	1876	565.18
2	A'	627	619	95.81
3	A'	347	343	54.85

Atom	x (Å)	y (Å)
Cl1	-0.527	-0.935
N2	0.000	0.963
O3	1.121	1.145

	Cl1	N2	O3
Cl1		1.9699	2.6538
N2	1.9699		1.1353
O3	2.6538	1.1353

Number	Element	Mulliken
1	Cl	-0.144
2	N	0.053
3	O	0.091

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

using model chemistry: SVWN/TZVP

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.883	1.396	0.000	1.651
CHELPG
AIM
ESP

	x	y	z
x	3.387	2.056	0.000
y	2.056	6.086	0.000
z	0.000	0.000	1.751

<r²>	61.105
(<r²>)^1/2	7.817