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	hartrees
Energy at 0K	-740.383451
Energy at 298.15K	-740.386006
HF Energy	-740.383451
Nuclear repulsion energy	228.314354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1871	1790	393.00
2	A'	1393	1333	281.61
3	A'	841	805	82.73
4	A'	810	775	131.95
5	A'	609	583	58.95
6	A'	465	445	10.22
7	A'	252	241	0.03
8	A"	746	713	12.06
9	A"	131	126	0.28

Atom	x (Å)	y (Å)
Cl1	-1.611	0.321
O2	0.000	0.821
N3	0.957	-0.291
O4	0.523	-1.398
O5	2.064	0.150

	Cl1	O2	N3	O4	O5
Cl1		1.6870	2.6404	2.7399	3.6787
O2	1.6870		1.4676	2.2795	2.1699
N3	2.6404	1.4676		1.1887	1.1910
O4	2.7399	2.2795	1.1887		2.1840
O5	3.6787	2.1699	1.1910	2.1840

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.469		O2	N3	O4	117.838
O2	N3	O5	108.968		O4	N3	O5	133.195

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

using model chemistry: B1B95/6-31+G**

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	0.207
2	O	-0.124
3	N	0.037
4	O	-0.057
5	O	-0.062

	x	y	z	Total
	-1.297	0.009	0.000	1.297
CHELPG
AIM
ESP

	x	y	z
x	8.118	-0.096	0.000
y	-0.096	4.949	0.000
z	0.000	0.000	2.954

<r²>	131.595
(<r²>)^1/2	11.471

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

using model chemistry: B1B95/6-31+G**

States and conformations

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