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	hartrees
Energy at 0K	-740.401798
Energy at 298.15K	-740.404420
HF Energy	-740.401798
Nuclear repulsion energy	230.067456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1885	1805	337.14
2	A'	1396	1337	252.35
3	A'	855	819	76.58
4	A'	824	789	122.33
5	A'	623	597	53.96
6	A'	477	457	7.56
7	A'	268	256	0.01
8	A"	768	736	12.63
9	A"	136	130	0.09

Atom	x (Å)	y (Å)
Cl1	-1.592	0.322
O2	0.000	0.822
N3	0.948	-0.294
O4	0.504	-1.389
O5	2.050	0.140

	Cl1	O2	N3	O4	O5
Cl1		1.6691	2.6138	2.7060	3.6472
O2	1.6691		1.4637	2.2673	2.1605
N3	2.6138	1.4637		1.1817	1.1846
O4	2.7060	2.2673	1.1817		2.1743
O5	3.6472	2.1605	1.1846	2.1743

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.930		O2	N3	O4	117.589
O2	N3	O5	108.880		O4	N3	O5	133.531

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.123
2	O	-0.309
3	N	0.864
4	O	-0.337
5	O	-0.340

	x	y	z	Total
	-1.006	0.028	0.000	1.006
CHELPG
AIM
ESP

	x	y	z
x	7.539	-0.163	0.000
y	-0.163	4.487	0.000
z	0.000	0.000	2.831

<r²>	129.076
(<r²>)^1/2	11.361

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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