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	hartrees
Energy at 0K	-736.463430
Energy at 298.15K	-736.465910
HF Energy	-736.463430
Nuclear repulsion energy	220.279595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1535	1472	164.26
2	A'	1177	1128	278.28
3	A'	857	822	112.65
4	A'	803	770	50.85
5	A'	634	608	2.22
6	A'	442	424	0.07
7	A'	265	254	0.09
8	A"	672	644	17.28
9	A"	108	104	0.27

Atom	x (Å)	y (Å)
Cl1	-1.666	0.273
O2	0.000	0.887
N3	0.991	-0.270
O4	0.530	-1.416
O5	2.143	0.185

	Cl1	O2	N3	O4	O5
Cl1		1.7752	2.7115	2.7700	3.8092
O2	1.7752		1.5236	2.3632	2.2548
N3	2.7115	1.5236		1.2349	1.2382
O4	2.7700	2.3632	1.2349		2.2719
O5	3.8092	2.2548	1.2382	2.2719

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	110.334		O2	N3	O4	117.512
O2	N3	O5	109.018		O4	N3	O5	133.470

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

using model chemistry: M06-2X/3-21G

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	0.215
2	O	-0.292
3	N	0.566
4	O	-0.253
5	O	-0.236

	x	y	z	Total
	-0.946	-0.123	0.000	0.954
CHELPG
AIM
ESP

	x	y	z
x	7.251	0.257	0.000
y	0.257	3.497	0.000
z	0.000	0.000	1.038

<r²>	138.747
(<r²>)^1/2	11.779

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

using model chemistry: M06-2X/3-21G

States and conformations

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