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	hartrees
Energy at 0K	-740.310307
Energy at 298.15K	-740.312912
HF Energy	-740.310307
Nuclear repulsion energy	228.206402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1852	1764	410.56
2	A'	1392	1326	291.08
3	A'	848	807	54.72
4	A'	831	792	186.67
5	A'	641	611	47.80
6	A'	476	453	5.02
7	A'	262	249	0.01
8	A"	749	713	12.68
9	A"	126	120	0.25

Atom	x (Å)	y (Å)
Cl1	-1.617	0.306
O2	0.000	0.787
N3	0.947	-0.266
O4	0.554	-1.395
O5	2.053	0.189

	Cl1	O2	N3	O4	O5
Cl1		1.6865	2.6269	2.7575	3.6714
O2	1.6865		1.4161	2.2506	2.1381
N3	2.6269	1.4161		1.1953	1.1957
O4	2.7575	2.2506	1.1953		2.1809
O5	3.6714	2.1381	1.1957	2.1809

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	115.429		O2	N3	O4	118.800
O2	N3	O5	109.603		O4	N3	O5	131.597

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.209
2	O	-0.123
3	N	0.038
4	O	-0.061
5	O	-0.063

	x	y	z	Total
	-1.427	0.067	0.000	1.428
CHELPG
AIM
ESP

	x	y	z
x	8.028	-0.020	0.000
y	-0.020	4.952	0.000
z	0.000	0.000	2.957

<r²>	131.781
(<r²>)^1/2	11.480

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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