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	hartrees
Energy at 0K	-71.020777
Energy at 298.15K	-71.023390
HF Energy	-71.020777
Nuclear repulsion energy	95.646598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1577	1421	552.57
2	A'	1358	1224	321.33
3	A'	1005	906	168.64
4	A'	857	772	47.03
5	A'	700	631	8.04
6	A'	482	434	6.07
7	A'	269	243	1.29
8	A"	742	669	18.84
9	A"	95	85	1.16

Atom	x (Å)	y (Å)
Cl1	-1.687	0.271
O2	0.000	0.794
N3	0.977	-0.227
O4	0.612	-1.407
O5	2.117	0.234

	Cl1	O2	N3	O4	O5
Cl1		1.7660	2.7103	2.8463	3.8042
O2	1.7660		1.4136	2.2851	2.1900
N3	2.7103	1.4136		1.2357	1.2297
O4	2.8463	2.2851	1.2357		2.2273
O5	3.8042	2.1900	1.2297	2.2273

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	116.510		O2	N3	O4	119.060
O2	N3	O5	111.711		O4	N3	O5	129.229

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

using model chemistry: HF/CEP-31G

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	0.352
2	O	-0.315
3	N	0.153
4	O	-0.095
5	O	-0.094

	x	y	z	Total
	-2.738	0.361	0.000	2.762
CHELPG
AIM
ESP

	x	y	z
x	8.076	0.756	0.000
y	0.756	3.952	0.000
z	0.000	0.000	1.078

<r²>	92.433
(<r²>)^1/2	9.614

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

using model chemistry: HF/CEP-31G

States and conformations

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