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	hartrees
Energy at 0K	-56.639903
Energy at 298.15K	-56.641406
HF Energy	-56.639903
Nuclear repulsion energy	60.634322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1707	1655	280.05
2	A'	851	825	0.45
3	A'	672	651	85.92
4	A'	483	468	42.82
5	A'	229	222	0.39
6	A"	396	384	1.60

Atom	x (Å)	y (Å)
Cl1	-1.262	-0.311
O2	0.000	0.927
N3	1.331	0.483
O4	1.517	-0.688

	Cl1	O2	N3	O4
Cl1		1.7674	2.7112	2.8043
O2	1.7674		1.4026	2.2157
N3	2.7112	1.4026		1.1860
O4	2.8043	2.2157	1.1860

Number	Element	Mulliken
1	Cl	0.102
2	O	-0.211
3	N	0.257
4	O	-0.148

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

using model chemistry: B3LYP/CEP-121G*

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
	-0.166	-0.252	0.000	0.302
CHELPG
AIM
ESP

	x	y	z
x	7.011	0.395	0.000
y	0.395	3.910	0.000
z	0.000	0.000	2.229

<r²>	60.817
(<r²>)^1/2	7.799