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	hartrees
Energy at 0K	-612.680095
Energy at 298.15K
Nuclear repulsion energy	149.160956

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.529	0.000
C2	1.486	0.700	0.000
O3	-0.835	1.376	0.000
Cl4	-0.456	-1.210	0.000
H5	1.727	1.759	0.000
H6	1.901	0.211	0.878
H7	1.901	0.211	-0.878

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.4955	1.1899	1.7974	2.1198	2.1179	2.1179
C2	1.4955		2.4173	2.7241	1.0852	1.0874	1.0874
O3	1.1899	2.4173		2.6136	2.5903	3.1009	3.1009
Cl4	1.7974	2.7241	2.6136		3.6846	2.8891	2.8891
H5	2.1198	1.0852	2.5903	3.6846		1.7876	1.7876
H6	2.1179	1.0874	3.1009	2.8891	1.7876		1.7554
H7	2.1179	1.0874	3.1009	2.8891	1.7876	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.424	C1	C2	H6	109.135
C1	C2	H7	109.135	C2	C1	O3	127.992
C2	C1	Cl4	111.305	O3	C1	Cl4	120.702
H5	C2	H6	110.735	H5	C2	H7	110.735
H6	C2	H7	107.634

All results from a given calculation for CH₃COCl (Acetyl Chloride)

using model chemistry: MP2/cc-pV(T+d)Z

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 CH3COCl (Acetyl Chloride)

using model chemistry: MP2/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃COCl (Acetyl Chloride)