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	hartrees
Energy at 0K	-740.033194
Energy at 298.15K	-740.035815
HF Energy	-740.033194
Nuclear repulsion energy	229.638952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1888	1808	332.29
2	A'	1397	1338	253.58
3	A'	855	819	87.57
4	A'	823	788	106.86
5	A'	622	596	54.19
6	A'	477	457	8.16
7	A'	266	255	0.02
8	A"	769	737	12.21
9	A"	137	131	0.08

Atom	x (Å)	y (Å)
Cl1	-1.597	0.325
O2	0.000	0.820
N3	0.950	-0.296
O4	0.510	-1.394
O5	2.052	0.142

	Cl1	O2	N3	O4	O5
Cl1		1.6719	2.6220	2.7191	3.6538
O2	1.6719		1.4659	2.2716	2.1614
N3	2.6220	1.4659		1.1825	1.1856
O4	2.7191	2.2716	1.1825		2.1760
O5	3.6538	2.1614	1.1856	2.1760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.191		O2	N3	O4	117.732
O2	N3	O5	108.743		O4	N3	O5	133.525

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.122
2	O	-0.311
3	N	0.868
4	O	-0.339
5	O	-0.340

	x	y	z	Total
	-0.967	0.022	0.000	0.967
CHELPG
AIM
ESP

	x	y	z
x	7.601	-0.183	0.000
y	-0.183	4.514	0.000
z	0.000	0.000	2.846

<r²>	129.667
(<r²>)^1/2	11.387

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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