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	hartrees
Energy at 0K	-740.352012
Energy at 298.15K	-740.354247
HF Energy	-740.352012
Nuclear repulsion energy	215.483766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1587	1525	225.09
2	A'	1202	1156	248.61
3	A'	752	723	194.48
4	A'	722	694	1.21
5	A'	548	527	27.85
6	A'	402	387	3.15
7	A'	213	205	0.10
8	A"	633	609	9.05
9	A"	114	109	0.79

Atom	x (Å)	y (Å)
Cl1	-1.732	0.298
O2	0.000	0.870
N3	1.030	-0.287
O4	0.604	-1.454
O5	2.175	0.201

	Cl1	O2	N3	O4	O5
Cl1		1.8237	2.8234	2.9199	3.9076
O2	1.8237		1.5493	2.4007	2.2751
N3	2.8234	1.5493		1.2416	1.2441
O4	2.9199	2.4007	1.2416		2.2811
O5	3.9076	2.2751	1.2441	2.2811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.410		O2	N3	O4	118.257
O2	N3	O5	108.567		O4	N3	O5	133.176

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

using model chemistry: B3LYP/SDD

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	0.218
2	O	-0.279
3	N	0.293
4	O	-0.118
5	O	-0.113

	x	y	z	Total
	-1.274	-0.213	0.000	1.292
CHELPG
AIM
ESP

	x	y	z
x	8.726	0.059	0.000
y	0.059	4.335	0.000
z	0.000	0.000	1.320

<r²>	146.061
(<r²>)^1/2	12.086

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

using model chemistry: B3LYP/SDD

States and conformations

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