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	hartrees
Energy at 0K	-737.949760
Energy at 298.15K	-737.952262
HF Energy	-737.949760
Nuclear repulsion energy	227.205695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1891	1870	253.93
2	A'	1376	1361	241.09
3	A'	823	814	126.31
4	A'	770	762	25.01
5	A'	564	558	33.29
6	A'	441	436	13.77
7	A'	244	241	0.02
8	A"	717	709	11.31
9	A"	149	147	0.37

Atom	x (Å)	y (Å)
Cl1	-1.612	0.320
O2	0.000	0.843
N3	0.967	-0.305
O4	0.509	-1.401
O5	2.071	0.146

	Cl1	O2	N3	O4	O5
Cl1		1.6950	2.6541	2.7314	3.6872
O2	1.6950		1.5010	2.3012	2.1849
N3	2.6541	1.5010		1.1885	1.1922
O4	2.7314	2.3012	1.1885		2.1988
O5	3.6872	2.1849	1.1922	2.1988

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.144		O2	N3	O4	117.185
O2	N3	O5	107.895		O4	N3	O5	134.919

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

using model chemistry: LSDA/cc-pVDZ

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	0.158
2	O	-0.234
3	N	0.312
4	O	-0.116
5	O	-0.120

	x	y	z	Total
	-0.859	-0.204	0.000	0.883
CHELPG
AIM
ESP

	x	y	z
x	7.552	-0.172	0.000
y	-0.172	4.022	0.000
z	0.000	0.000	1.818

<r²>	131.811
(<r²>)^1/2	11.481

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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