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	hartrees
Energy at 0K	-55.440405
Energy at 298.15K	-55.442073
HF Energy	-55.440405
Nuclear repulsion energy	60.270596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1804	1626	336.02
2	A'	955	861	171.43
3	A'	824	743	100.69
4	A'	685	617	18.72
5	A'	262	236	0.41
6	A"	315	284	6.19

Atom	x (Å)	y (Å)
Cl1	-1.283	-0.330
O2	0.000	0.910
N3	1.341	0.513
O4	1.553	-0.658

	Cl1	O2	N3	O4
Cl1		1.7847	2.7570	2.8558
O2	1.7847		1.3990	2.2074
N3	2.7570	1.3990		1.1902
O4	2.8558	2.2074	1.1902

Number	Element	Mulliken
1	Cl	0.233
2	O	-0.376
3	N	0.248
4	O	-0.105

All results from a given calculation for ClONO (chlorine nitrite)

using model chemistry: HF/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
	-0.386	-0.572	0.000	0.690
CHELPG
AIM
ESP

	x	y	z
x	6.286	0.908	0.000
y	0.908	3.483	0.000
z	0.000	0.000	0.972

<r²>	62.631
(<r²>)^1/2	7.914