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	hartrees
Energy at 0K	-589.979625
Energy at 298.15K
HF Energy	-589.979625
Nuclear repulsion energy	84.941075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1955	1873	584.12
2	A'	625	599	109.65
3	A'	341	327	79.31

Atom	x (Å)	y (Å)
Cl1	-0.531	-0.934
N2	0.000	0.971
O3	1.129	1.135

	Cl1	N2	O3
Cl1		1.9780	2.6531
N2	1.9780		1.1407
O3	2.6531	1.1407

Number	Element	Mulliken
1	Cl	-0.118
2	N	0.152
3	O	-0.034

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

using model chemistry: B3PW91/6-31G**

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
	0.938	1.731	0.000	1.969
CHELPG
AIM
ESP

	x	y	z
x	3.206	1.911	0.000
y	1.911	5.537	0.000
z	0.000	0.000	1.618

<r²>	60.973
(<r²>)^1/2	7.809