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	hartrees
Energy at 0K	-740.355192
Energy at 298.15K	-740.357763
HF Energy	-740.355192
Nuclear repulsion energy	227.989517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1866	1776	389.16
2	A'	1391	1324	283.43
3	A'	843	802	93.57
4	A'	814	774	119.65
5	A'	614	584	56.85
6	A'	467	445	9.25
7	A'	258	245	0.03
8	A"	747	711	11.68
9	A"	132	126	0.27

Atom	x (Å)	y (Å)
Cl1	-1.615	0.321
O2	0.000	0.819
N3	0.959	-0.291
O4	0.528	-1.400
O5	2.065	0.154

	Cl1	O2	N3	O4	O5
Cl1		1.6905	2.6458	2.7490	3.6840
O2	1.6905		1.4672	2.2818	2.1695
N3	2.6458	1.4672		1.1898	1.1924
O4	2.7490	2.2818	1.1898		2.1858
O5	3.6840	2.1695	1.1924	2.1858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.647		O2	N3	O4	117.981
O2	N3	O5	108.880		O4	N3	O5	133.139

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

using model chemistry: mPW1PW91/6-31+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	0.199
2	O	-0.099
3	N	-0.014
4	O	-0.038
5	O	-0.048

	x	y	z	Total
	-1.296	0.011	0.000	1.296
CHELPG
AIM
ESP

	x	y	z
x	8.157	-0.101	0.000
y	-0.101	4.958	0.000
z	0.000	0.000	2.956

<r²>	132.015
(<r²>)^1/2	11.490

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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