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	hartrees
Energy at 0K	-740.450546
Energy at 298.15K	-740.452826
HF Energy	-740.450546
Nuclear repulsion energy	223.469272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1791	1764	319.13
2	A'	1308	1288	275.13
3	A'	795	783	126.74
4	A'	742	731	25.00
5	A'	509	501	26.39
6	A'	366	361	33.20
7	A'	220	217	0.38
8	A"	670	660	6.78
9	A"	126	124	0.33

Atom	x (Å)	y (Å)
Cl1	-1.623	0.423
O2	0.000	0.873
N3	0.988	-0.386
O4	0.480	-1.458
O5	2.104	0.024

	Cl1	O2	N3	O4	O5
Cl1		1.6840	2.7337	2.8215	3.7484
O2	1.6840		1.6004	2.3794	2.2688
N3	2.7337	1.6004		1.1861	1.1889
O4	2.8215	2.3794	1.1861		2.1986
O5	3.7484	2.2688	1.1889	2.1986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.655		O2	N3	O4	116.493
O2	N3	O5	107.950		O4	N3	O5	135.557

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.178
2	O	-0.397
3	N	1.052
4	O	-0.406
5	O	-0.427

	x	y	z	Total
	-0.509	-0.330	0.000	0.607
CHELPG
AIM
ESP

	x	y	z
x	9.651	-0.777	0.000
y	-0.777	6.220	0.000
z	0.000	0.000	4.046

<r²>	137.029
(<r²>)^1/2	11.706

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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