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	hartrees
Energy at 0K	-661.556004
Energy at 298.15K	-661.557828
HF Energy	-661.556004
Nuclear repulsion energy	148.743975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1161	1118	361.70
2	A₁	764	736	215.41
3	A₁	380	366	37.50
4	B₁	603	581	6.79
5	B₂	1530	1474	188.40
6	B₂	358	345	1.37

Atom	y (Å)	z (Å)
Cl1	0.000	1.324
N2	0.000	-0.647
O3	1.129	-1.123
O4	-1.129	-1.123

	Cl1	N2	O3	O4
Cl1		1.9710	2.6947	2.6947
N2	1.9710		1.2251	1.2251
O3	2.6947	1.2251		2.2577
O4	2.6947	1.2251	2.2577

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	112.862		Cl1	N2	O4	112.862
O3	N2	O4	134.277

All results from a given calculation for ClNO₂ (Nitryl chloride)

using model chemistry: HSEh1PBE/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	0.006
2	N	0.412
3	O	-0.209
4	O	-0.209

	x	y	z	Total
	0.000	0.000	-0.637	0.637
CHELPG
AIM
ESP

<r²>	91.373
(<r²>)^1/2	9.559

All results from a given calculation for ClNO2 (Nitryl chloride)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for ClNO₂ (Nitryl chloride)