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	hartrees
Energy at 0K	-740.304734
Energy at 298.15K	-740.306982
HF Energy	-740.304734
Nuclear repulsion energy	222.158610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1801	1770	314.15
2	A'	1319	1297	278.25
3	A'	781	767	140.44
4	A'	727	714	13.60
5	A'	498	490	24.47
6	A'	370	363	31.14
7	A'	217	213	0.27
8	A"	663	651	7.34
9	A"	130	127	0.56

Atom	x (Å)	y (Å)
Cl1	-1.644	0.394
O2	0.000	0.866
N3	0.993	-0.362
O4	0.511	-1.458
O5	2.113	0.072

	Cl1	O2	N3	O4	O5
Cl1		1.7103	2.7435	2.8418	3.7708
O2	1.7103		1.5790	2.3794	2.2571
N3	2.7435	1.5790		1.1978	1.2007
O4	2.8418	2.3794	1.1978		2.2153
O5	3.7708	2.2571	1.2007	2.2153

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	117.124		O2	N3	O4	119.561
O2	N3	O5	108.550		O4	N3	O5	131.889

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

using model chemistry: B97D3/6-31+G**

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	0.176
2	O	-0.127
3	N	-0.063
4	O	0.007
5	O	0.007

	x	y	z	Total
	-0.777	-0.309	0.000	0.836
CHELPG
AIM
ESP

	x	y	z
x	9.130	-0.581	0.000
y	-0.581	5.490	0.000
z	0.000	0.000	3.115

<r²>	138.374
(<r²>)^1/2	11.763

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

using model chemistry: B97D3/6-31+G**

States and conformations

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