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	hartrees
Energy at 0K	-71.030810
Energy at 298.15K	-71.033476
HF Energy	-71.030810
Nuclear repulsion energy	95.908762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1601	1461	573.28
2	A'	1366	1247	334.05
3	A'	1005	917	169.92
4	A'	862	786	48.06
5	A'	702	641	7.28
6	A'	486	443	6.06
7	A'	272	248	1.25
8	A"	755	689	21.59
9	A"	102	93	0.86

Atom	x (Å)	y (Å)
Cl1	-1.683	0.266
O2	0.000	0.794
N3	0.975	-0.224
O4	0.612	-1.401
O5	2.112	0.237

	Cl1	O2	N3	O4	O5
Cl1		1.7640	2.7030	2.8366	3.7949
O2	1.7640		1.4096	2.2782	2.1838
N3	2.7030	1.4096		1.2311	1.2266
O4	2.8366	2.2782	1.2311		2.2204
O5	3.7949	2.1838	1.2266	2.2204

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	116.354		O2	N3	O4	119.094
O2	N3	O5	111.677		O4	N3	O5	129.229

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

using model chemistry: HF/CEP-121G

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	0.376
2	O	-0.375
3	N	0.311
4	O	-0.159
5	O	-0.153

	x	y	z	Total
	-2.723	0.383	0.000	2.750
CHELPG
AIM
ESP

	x	y	z
x	8.095	0.684	0.000
y	0.684	4.211	0.000
z	0.000	0.000	1.614

<r²>	91.959
(<r²>)^1/2	9.590

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

using model chemistry: HF/CEP-121G

States and conformations

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