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	hartrees
Energy at 0K	-609.335548
Energy at 298.15K	-609.338767
HF Energy	-608.885637
Nuclear repulsion energy	145.516711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3046	3.07
2	A'	3108	2956	0.85
3	A'	1762	1676	172.53
4	A'	1561	1485	18.96
5	A'	1478	1406	29.80
6	A'	1145	1089	93.62
7	A'	923	878	110.91
8	A'	542	516	137.81
9	A'	380	361	75.01
10	A'	347	330	2.54
11	A"	3190	3035	0.00
12	A"	1569	1493	14.97
13	A"	1123	1068	5.20
14	A"	527	502	1.74
15	A"	174	166	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.573	0.000
C2	1.507	0.703	0.000
O3	-0.865	1.425	0.000
Cl4	-0.454	-1.249	0.000
H5	1.773	1.762	0.000
H6	1.911	0.207	0.887
H7	1.911	0.207	-0.887

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.5128	1.2144	1.8775	2.1350	2.1386	2.1386
C2	1.5128		2.4801	2.7667	1.0925	1.0934	1.0934
O3	1.2144	2.4801		2.7052	2.6598	3.1591	3.1591
Cl4	1.8775	2.7667	2.7052		3.7452	2.9156	2.9156
H5	2.1350	1.0925	2.6598	3.7452		1.7957	1.7957
H6	2.1386	1.0934	3.1591	2.9156	1.7957		1.7737
H7	2.1386	1.0934	3.1591	2.9156	1.7957	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	108.995	C1	C2	H6	109.231
C1	C2	H7	109.231	C2	C1	O3	130.529
C2	C1	Cl4	108.911	O3	C1	Cl4	120.560
H5	C2	H6	110.472	H5	C2	H7	110.472
H6	C2	H7	108.415

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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