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	hartrees
Energy at 0K	-573.509530
Energy at 298.15K
HF Energy	-572.877792
Nuclear repulsion energy	88.344271

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.131	1.151
Cl3	-0.480	-0.905
H4	-0.886	1.430

	C1	O2	Cl3	H4
C1		1.1868	1.7634	1.0917
O2	1.1868		2.6125	2.0356
Cl3	1.7634	2.6125		2.3702
H4	1.0917	2.0356	2.3702

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.450		O2	C1	H4	126.557
Cl3	C1	H4	109.993

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: MP2/aug-cc-pVQZ

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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