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	hartrees
Energy at 0K	-612.455445
Energy at 298.15K	-612.458738
HF Energy	-611.838479
Nuclear repulsion energy	148.847578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3071	2.97
2	A'	3142	2951	0.56
3	A'	1834	1723	266.77
4	A'	1514	1422	14.49
5	A'	1439	1351	23.82
6	A'	1156	1086	163.40
7	A'	995	935	59.47
8	A'	630	591	135.65
9	A'	458	430	16.02
10	A'	357	335	0.87
11	A"	3243	3045	0.24
12	A"	1514	1422	12.69
13	A"	1069	1004	1.50
14	A"	524	492	1.94
15	A"	130	122	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.517	0.000
C2	1.484	0.723	0.000
O3	-0.851	1.368	0.000
Cl4	-0.448	-1.216	0.000
H5	1.693	1.787	0.000
H6	1.915	0.249	0.879
H7	1.915	0.249	-0.879

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.4979	1.2033	1.7896	2.1165	2.1238	2.1238
C2	1.4979		2.4221	2.7365	1.0851	1.0874	1.0874
O3	1.2033	2.4221		2.6147	2.5781	3.1101	3.1101
Cl4	1.7896	2.7365	2.6147		3.6880	2.9157	2.9157
H5	2.1165	1.0851	2.5781	3.6880		1.7854	1.7854
H6	2.1238	1.0874	3.1101	2.9157	1.7854		1.7579
H7	2.1238	1.0874	3.1101	2.9157	1.7854	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.002	C1	C2	H6	109.446
C1	C2	H7	109.446	C2	C1	O3	127.110
C2	C1	Cl4	112.388	O3	C1	Cl4	120.502
H5	C2	H6	110.535	H5	C2	H7	110.535
H6	C2	H7	107.858

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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