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	hartrees
Energy at 0K	-740.101481
Energy at 298.15K	-740.103774
HF Energy	-740.101481
Nuclear repulsion energy	221.971723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1777	1757	315.13
2	A'	1304	1289	280.85
3	A'	792	783	139.15
4	A'	739	731	16.45
5	A'	512	507	26.13
6	A'	379	375	26.62
7	A'	216	214	0.35
8	A"	664	657	7.05
9	A"	134	132	0.72

Atom	x (Å)	y (Å)
Cl1	-1.646	0.400
O2	0.000	0.869
N3	0.998	-0.369
O4	0.509	-1.459
O5	2.115	0.061

	Cl1	O2	N3	O4	O5
Cl1		1.7112	2.7532	2.8460	3.7756
O2	1.7112		1.5904	2.3832	2.2639
N3	2.7532	1.5904		1.1944	1.1968
O4	2.8460	2.3832	1.1944		2.2109
O5	3.7756	2.2639	1.1968	2.2109

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.949		O2	N3	O4	116.989
O2	N3	O5	107.797		O4	N3	O5	135.213

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

using model chemistry: PBEPBE/TZVP

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	0.124
2	O	-0.202
3	N	0.171
4	O	-0.030
5	O	-0.064

	x	y	z	Total
	-0.714	-0.387	0.000	0.812
CHELPG
AIM
ESP

	x	y	z
x	8.765	-0.505	0.000
y	-0.505	4.986	0.000
z	0.000	0.000	2.315

<r²>	138.778
(<r²>)^1/2	11.780

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

using model chemistry: PBEPBE/TZVP

States and conformations

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