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	hartrees
Energy at 0K	-664.975091
Energy at 298.15K	-664.976560
HF Energy	-664.696700
Nuclear repulsion energy	153.327780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1724	1646	221.20
2	A'	869	830	3.24
3	A'	656	626	44.44
4	A'	414	395	96.25
5	A'	248	237	0.32
6	A"	394	377	0.77

Atom	x (Å)	y (Å)
Cl1	-1.233	-0.268
O2	0.000	0.933
N3	1.335	0.426
O4	1.451	-0.737

	Cl1	O2	N3	O4
Cl1		1.7207	2.6604	2.7247
O2	1.7207		1.4284	2.2120
N3	2.6604	1.4284		1.1684
O4	2.7247	2.2120	1.1684

Number	Element	Mulliken
1	Cl	0.075
2	O	-0.249
3	N	0.298
4	O	-0.124

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

using model chemistry: B2PLYP/6-31G(2df,p)

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
	-0.005	-0.310	0.000	0.310
CHELPG
AIM
ESP

	x	y	z
x	6.587	0.160	0.000
y	0.160	3.842	0.000
z	0.000	0.000	2.556

<r²>	86.339
(<r²>)^1/2	9.292