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	hartrees
Energy at 0K	-731.585261
Energy at 298.15K	-731.587430
HF Energy	-731.585261
Nuclear repulsion energy	218.731693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1787	1787	41.54
2	A'	1325	1325	122.79
3	A'	961	961	13.44
4	A'	890	890	67.39
5	A'	581	581	10.74
6	A'	423	423	0.54
7	A'	253	253	0.90
8	A"	559	559	5.04
9	A"	97	97	0.27

Atom	x (Å)	y (Å)
Cl1	-1.638	0.275
O2	0.000	0.924
N3	0.965	-0.266
O4	0.465	-1.442
O5	2.172	0.167

	Cl1	O2	N3	O4	O5
Cl1		1.7623	2.6590	2.7156	3.8122
O2	1.7623		1.5319	2.4118	2.3005
N3	2.6590	1.5319		1.2785	1.2824
O4	2.7156	2.4118	1.2785		2.3461
O5	3.8122	2.3005	1.2824	2.3461

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	107.433		O2	N3	O4	117.936
O2	N3	O5	109.338		O4	N3	O5	132.725

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

using model chemistry: M06-2X/STO-3G

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	-0.013
2	O	-0.022
3	N	0.196
4	O	-0.079
5	O	-0.082

	x	y	z	Total
	0.264	0.189	0.000	0.325
CHELPG
AIM
ESP

	x	y	z
x	5.272	0.219	0.000
y	0.219	2.386	0.000
z	0.000	0.000	0.419

<r²>	136.601
(<r²>)^1/2	11.688

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

using model chemistry: M06-2X/STO-3G

States and conformations

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