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	hartrees
Energy at 0K	-731.608156
Energy at 298.15K	-731.610220
HF Energy	-731.608156
Nuclear repulsion energy	216.643396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1764	1558	27.81
2	A'	1297	1145	110.12
3	A'	911	804	4.63
4	A'	853	753	79.38
5	A'	565	499	6.37
6	A'	403	355	0.60
7	A'	216	191	0.76
8	A"	542	479	3.13
9	A"	104	92	0.27

Atom	x (Å)	y (Å)
Cl1	-1.654	0.288
O2	0.000	0.935
N3	0.979	-0.281
O4	0.467	-1.458
O5	2.191	0.156

	Cl1	O2	N3	O4	O5
Cl1		1.7758	2.6939	2.7474	3.8476
O2	1.7758		1.5607	2.4383	2.3255
N3	2.6939	1.5607		1.2846	1.2886
O4	2.7474	2.4383	1.2846		2.3628
O5	3.8476	2.3255	1.2886	2.3628

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	107.511		O2	N3	O4	117.629
O2	N3	O5	109.036		O4	N3	O5	133.335

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

using model chemistry: B1B95/STO-3G

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	-0.027
2	O	-0.014
3	N	0.174
4	O	-0.064
5	O	-0.069

	x	y	z	Total
	0.457	0.102	0.000	0.468
CHELPG
AIM
ESP

	x	y	z
x	5.459	0.094	0.000
y	0.094	2.433	0.000
z	0.000	0.000	0.416

<r²>	138.886
(<r²>)^1/2	11.785

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

using model chemistry: B1B95/STO-3G

States and conformations

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