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	hartrees
Energy at 0K	-736.591945
Energy at 298.15K	-736.594291
HF Energy	-736.591945
Nuclear repulsion energy	220.609483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1518	1456	136.60
2	A'	1143	1097	246.76
3	A'	790	757	129.24
4	A'	773	741	2.85
5	A'	589	565	4.59
6	A'	416	399	1.21
7	A'	230	220	0.00
8	A"	635	609	11.09
9	A"	123	118	0.39

Atom	x (Å)	y (Å)
Cl1	-1.634	0.364
O2	0.000	0.893
N3	0.983	-0.338
O4	0.468	-1.458
O5	2.144	0.088

	Cl1	O2	N3	O4	O5
Cl1		1.7172	2.7086	2.7813	3.7876
O2	1.7172		1.5750	2.3975	2.2903
N3	2.7086	1.5750		1.2331	1.2368
O4	2.7813	2.3975	1.2331		2.2802
O5	3.7876	2.2903	1.2368	2.2802

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	110.646		O2	N3	O4	116.725
O2	N3	O5	108.483		O4	N3	O5	134.792

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

using model chemistry: B3PW91/3-21G*

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	0.184
2	O	-0.264
3	N	0.541
4	O	-0.236
5	O	-0.226

	x	y	z	Total
	-0.721	-0.268	0.000	0.770
CHELPG
AIM
ESP

	x	y	z
x	7.403	-0.220	0.000
y	-0.220	3.826	0.000
z	0.000	0.000	1.417

<r²>	138.072
(<r²>)^1/2	11.750

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

using model chemistry: B3PW91/3-21G*

States and conformations

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