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	hartrees
Energy at 0K	-40.662307
Energy at 298.15K	-40.663003
Nuclear repulsion energy	31.574134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1923	1841	580.30
2	A'	637	610	129.95
3	A'	351	336	79.47

Atom	x (Å)	y (Å)
Cl1	-0.542	-0.917
N2	0.000	0.956
O3	1.152	1.111

	Cl1	N2	O3
Cl1		1.9489	2.6422
N2	1.9489		1.1622
O3	2.6422	1.1622

Number	Element	Mulliken
1	Cl	-0.128
2	N	-0.028
3	O	0.156

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

using model chemistry: B1B95/CEP-31G*

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
	0.766	1.271	0.000	1.484
CHELPG
AIM
ESP

	x	y	z
x	3.210	2.069	0.000
y	2.069	5.629	0.000
z	0.000	0.000	1.419

<r²>	0.000
(<r²>)^1/2	0.000