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	hartrees
Energy at 0K	-736.707062
Energy at 298.15K	-736.709456
HF Energy	-736.707062
Nuclear repulsion energy	221.951872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1528	1459	147.78
2	A'	1155	1103	251.95
3	A'	801	765	129.56
4	A'	786	750	12.75
5	A'	598	571	5.11
6	A'	424	405	0.96
7	A'	245	234	0.01
8	A"	645	616	12.26
9	A"	123	117	0.41

Atom	x (Å)	y (Å)
Cl1	-1.624	0.356
O2	0.000	0.887
N3	0.976	-0.331
O4	0.466	-1.448
O5	2.132	0.094

	Cl1	O2	N3	O4	O5
Cl1		1.7087	2.6886	2.7602	3.7646
O2	1.7087		1.5604	2.3810	2.2745
N3	2.6886	1.5604		1.2282	1.2314
O4	2.7602	2.3810	1.2282		2.2698
O5	3.7646	2.2745	1.2314	2.2698

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	110.576		O2	N3	O4	116.764
O2	N3	O5	108.547		O4	N3	O5	134.689

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

using model chemistry: B1B95/3-21G*

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	0.189
2	O	-0.270
3	N	0.550
4	O	-0.240
5	O	-0.229

	x	y	z	Total
	-0.779	-0.251	0.000	0.818
CHELPG
AIM
ESP

	x	y	z
x	7.250	-0.158	0.000
y	-0.158	3.776	0.000
z	0.000	0.000	1.413

<r²>	136.543
(<r²>)^1/2	11.685

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

using model chemistry: B1B95/3-21G*

States and conformations

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