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	hartrees
Energy at 0K	-740.102639
Energy at 298.15K	-740.105212
HF Energy	-740.102639
Nuclear repulsion energy	227.995901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1890	1813	375.86
2	A'	1396	1340	294.89
3	A'	849	815	194.01
4	A'	811	778	23.65
5	A'	603	579	64.63
6	A'	465	446	13.08
7	A'	257	247	0.19
8	A"	759	728	14.79
9	A"	135	129	0.49

Atom	x (Å)	y (Å)
Cl1	-1.621	0.322
O2	0.000	0.820
N3	0.967	-0.297
O4	0.539	-1.397
O5	2.060	0.153

	Cl1	O2	N3	O4	O5
Cl1		1.6959	2.6616	2.7607	3.6855
O2	1.6959		1.4777	2.2814	2.1657
N3	2.6616	1.4777		1.1803	1.1821
O4	2.7607	2.2814	1.1803		2.1720
O5	3.6855	2.1657	1.1821	2.1720

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.826		O2	N3	O4	117.821
O2	N3	O5	108.512		O4	N3	O5	133.667

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

using model chemistry: HSEh1PBE/6-311G*

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	0.210
2	O	-0.309
3	N	0.486
4	O	-0.194
5	O	-0.192

	x	y	z	Total
	-1.043	-0.161	0.000	1.055
CHELPG
AIM
ESP

	x	y	z
x	7.440	-0.027	0.000
y	-0.027	4.023	0.000
z	0.000	0.000	1.811

<r²>	132.264
(<r²>)^1/2	11.501

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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