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	hartrees
Energy at 0K	-740.436690
Energy at 298.15K	-740.438972
HF Energy	-740.436690
Nuclear repulsion energy	224.168100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1805	1781	320.89
2	A'	1316	1299	275.30
3	A'	797	787	119.90
4	A'	742	732	28.41
5	A'	508	501	26.51
6	A'	363	358	36.63
7	A'	222	219	0.31
8	A"	673	664	6.40
9	A"	129	128	0.31

Atom	x (Å)	y (Å)
Cl1	-1.613	0.428
O2	0.000	0.871
N3	0.983	-0.389
O4	0.468	-1.456
O5	2.100	0.015

	Cl1	O2	N3	O4	O5
Cl1		1.6729	2.7218	2.8078	3.7356
O2	1.6729		1.5983	2.3743	2.2673
N3	2.7218	1.5983		1.1851	1.1875
O4	2.8078	2.3743	1.1851		2.1972
O5	3.7356	2.2673	1.1875	2.1972

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	116.442		O2	N3	O4	119.216
O2	N3	O5	108.749		O4	N3	O5	132.035

All results from a given calculation for ClONO₂ (Chlorine nitrate)

using model chemistry: B97D3/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	Cl	0.055
2	O	-0.203
3	N	0.842
4	O	-0.321
5	O	-0.373

	x	y	z	Total
	-0.521	-0.321	0.000	0.612
CHELPG
AIM
ESP

	x	y	z
x	9.510	-0.794	0.000
y	-0.794	6.065	0.000
z	0.000	0.000	3.916

<r²>	136.222
(<r²>)^1/2	11.671

All results from a given calculation for ClONO2 (Chlorine nitrate)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for ClONO₂ (Chlorine nitrate)