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	hartrees
Energy at 0K	-612.678612
Energy at 298.15K	-612.681903
HF Energy	-611.926525
Nuclear repulsion energy	149.022654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3053	3.14
2	A'	3097	2941	0.39
3	A'	1853	1759	246.09
4	A'	1478	1404	12.44
5	A'	1394	1324	23.41
6	A'	1128	1071	157.11
7	A'	976	926	53.55
8	A'	612	581	134.84
9	A'	446	424	18.83
10	A'	348	330	0.74
11	A"	3190	3029	0.02
12	A"	1485	1410	11.93
13	A"	1049	996	2.43
14	A"	522	496	1.74
15	A"	147	139	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.539	0.000
C2	1.484	0.706	0.000
O3	-0.839	1.378	0.000
Cl4	-0.453	-1.217	0.000
H5	1.723	1.765	0.000
H6	1.898	0.217	0.878
H7	1.898	0.217	-0.878

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.4932	1.1869	1.8139	2.1143	2.1161	2.1161
C2	1.4932		2.4183	2.7299	1.0854	1.0872	1.0872
O3	1.1869	2.4183		2.6242	2.5907	3.1005	3.1005
Cl4	1.8139	2.7299	2.6242		3.6917	2.8912	2.8912
H5	2.1143	1.0854	2.5907	3.6917		1.7881	1.7881
H6	2.1161	1.0872	3.1005	2.8912	1.7881		1.7562
H7	2.1161	1.0872	3.1005	2.8912	1.7881	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.133	C1	C2	H6	109.176
C1	C2	H7	109.176	C2	C1	O3	128.567
C2	C1	Cl4	110.901	O3	C1	Cl4	120.531
H5	C2	H6	110.787	H5	C2	H7	110.787
H6	C2	H7	107.745

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

using model chemistry: MP2/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 CH3COCl (Acetyl Chloride)

using model chemistry: MP2/cc-pVTZ

States and conformations

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