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	hartrees
Energy at 0K	-664.398166
Energy at 298.15K	-664.399999
HF Energy	-663.541536
Nuclear repulsion energy	151.871484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1332	1261	379.49
2	A₁	783	742	348.09
3	A₁	295	280	164.43
4	B₁	660	625	4.44
5	B₂	1974	1870	202.90
6	B₂	405	383	1.56

Atom	y (Å)	z (Å)
Cl1	0.000	1.307
N2	0.000	-0.646
O3	1.096	-1.106
O4	-1.096	-1.106

	Cl1	N2	O3	O4
Cl1		1.9524	2.6502	2.6502
N2	1.9524		1.1888	1.1888
O3	2.6502	1.1888		2.1920
O4	2.6502	1.1888	2.1920

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	112.790		Cl1	N2	O4	112.790
O3	N2	O4	134.419

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

using model chemistry: MP2=FULL/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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All results from a given calculation for ClNO2 (Nitryl chloride)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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