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	hartrees
Energy at 0K	-660.566643
Energy at 298.15K	-660.568324
HF Energy	-660.090858
Nuclear repulsion energy	145.549392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1056	1023	265.84
2	A₁	726	704	132.64
3	A₁	350	339	18.29
4	B₁	545	528	5.82
5	B₂	1262	1223	148.91
6	B₂	329	319	0.60

Atom	y (Å)	z (Å)
Cl1	0.000	1.352
N2	0.000	-0.654
O3	1.153	-1.151
O4	-1.153	-1.151

	Cl1	N2	O3	O4
Cl1		2.0057	2.7552	2.7552
N2	2.0057		1.2551	1.2551
O3	2.7552	1.2551		2.3052
O4	2.7552	1.2551	2.3052

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.321		Cl1	N2	O4	113.321
O3	N2	O4	133.357

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

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

using model chemistry: QCISD/3-21G

States and conformations

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