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	hartrees
Energy at 0K	-740.371666
Energy at 298.15K	-740.374244
HF Energy	-740.371666
Nuclear repulsion energy	228.501573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1896	1811	330.63
2	A'	1404	1341	271.75
3	A'	846	808	110.92
4	A'	820	783	99.48
5	A'	616	588	47.02
6	A'	469	448	7.34
7	A'	256	245	0.04
8	A"	749	716	15.48
9	A"	135	129	0.26

Atom	x (Å)	y (Å)
Cl1	-1.609	0.316
O2	0.000	0.823
N3	0.956	-0.290
O4	0.523	-1.396
O5	2.060	0.156

	Cl1	O2	N3	O4	O5
Cl1		1.6871	2.6357	2.7343	3.6729
O2	1.6871		1.4668	2.2795	2.1655
N3	2.6357	1.4668		1.1880	1.1907
O4	2.7343	2.2795	1.1880		2.1842
O5	3.6729	2.1655	1.1907	2.1842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.192		O2	N3	O4	117.948
O2	N3	O5	108.703		O4	N3	O5	133.349

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

using model chemistry: B1B95/6-31G**

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	0.249
2	O	-0.381
3	N	0.760
4	O	-0.319
5	O	-0.309

	x	y	z	Total
	-1.141	-0.031	0.000	1.141
CHELPG
AIM
ESP

	x	y	z
x	7.210	-0.035	0.000
y	-0.035	4.042	0.000
z	0.000	0.000	2.074

<r²>	130.870
(<r²>)^1/2	11.440

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

using model chemistry: B1B95/6-31G**

States and conformations

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