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	hartrees
Energy at 0K	-664.475460
Energy at 298.15K	-664.477507
HF Energy	-663.595905
Nuclear repulsion energy	156.408159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1369	1288	356.04
2	A₁	839	790	232.39
3	A₁	428	403	41.50
4	B₁	699	658	7.25
5	B₂	1786	1681	450.18
6	B₂	434	408	0.20

Atom	y (Å)	z (Å)
Cl1	0.000	1.260
N2	0.000	-0.601
O3	1.085	-1.076
O4	-1.085	-1.076

	Cl1	N2	O3	O4
Cl1		1.8612	2.5758	2.5758
N2	1.8612		1.1843	1.1843
O3	2.5758	1.1843		2.1697
O4	2.5758	1.1843	2.1697

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.647		Cl1	N2	O4	113.647
O3	N2	O4	132.706

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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