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	hartrees
Energy at 0K	-736.741055
Energy at 298.15K	-736.743145
HF Energy	-736.741055
Nuclear repulsion energy	214.395115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1406	1397	93.09
2	A'	1066	1059	211.14
3	A'	730	726	85.65
4	A'	687	682	3.67
5	A'	523	519	1.32
6	A'	367	364	1.02
7	A'	197	196	0.08
8	A"	565	561	6.26
9	A"	122	121	0.27

Atom	x (Å)	y (Å)
Cl1	-1.680	0.389
O2	0.000	0.926
N3	1.016	-0.367
O4	0.481	-1.506
O5	2.200	0.074

	Cl1	O2	N3	O4	O5
Cl1		1.7638	2.7992	2.8737	3.8920
O2	1.7638		1.6443	2.4793	2.3589
N3	2.7992	1.6443		1.2581	1.2633
O4	2.8737	2.4793	1.2581		2.3342
O5	3.8920	2.3589	1.2633	2.3342

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	110.390		O2	N3	O4	116.720
O2	N3	O5	107.721		O4	N3	O5	135.559

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

using model chemistry: BLYP/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	0.139
2	O	-0.218
3	N	0.475
4	O	-0.202
5	O	-0.194

	x	y	z	Total
	-0.396	-0.343	0.000	0.524
CHELPG
AIM
ESP

	x	y	z
x	8.147	-0.468	0.000
y	-0.468	4.093	0.000
z	0.000	0.000	1.434

<r²>	145.017
(<r²>)^1/2	12.042

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

using model chemistry: BLYP/3-21G*

States and conformations

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