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	hartrees
Energy at 0K	-665.304586
Energy at 298.15K
Nuclear repulsion energy	152.402249

Atom	y (Å)	z (Å)
Cl1	-1.301	0.000
N2	0.636	0.000
O3	1.104	1.092
O4	1.104	-1.092

	Cl1	N2	O3	O4
Cl1		1.9368	2.6416	2.6416
N2	1.9368		1.1880	1.1880
O3	2.6416	1.1880		2.1833
O4	2.6416	1.1880	2.1833

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.234		Cl1	N2	O4	113.234
O3	N2	O4	133.532

Number	Element	Mulliken
1	Cl	-0.037
2	N	0.263
3	O	-0.113
4	O	-0.113

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

using model chemistry: B3LYP/cc-pVDZ

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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<r²>	87.888
(<r²>)^1/2	9.375

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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