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	hartrees
Energy at 0K	-612.419713
Energy at 298.15K	-612.423019
HF Energy	-611.833705
Nuclear repulsion energy	148.582327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3067	3.05
2	A'	3150	2950	0.33
3	A'	1864	1746	223.54
4	A'	1523	1426	12.54
5	A'	1441	1349	22.05
6	A'	1157	1083	160.11
7	A'	997	933	58.45
8	A'	626	586	134.70
9	A'	454	425	16.99
10	A'	354	331	0.75
11	A"	3249	3043	0.37
12	A"	1527	1430	10.75
13	A"	1075	1007	2.66
14	A"	523	490	2.67
15	A"	145	135	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.523	0.000
C2	1.487	0.714	0.000
O3	-0.843	1.378	0.000
Cl4	-0.454	-1.218	0.000
H5	1.704	1.778	0.000
H6	1.914	0.238	0.880
H7	1.914	0.238	-0.880

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.4997	1.2006	1.7992	2.1162	2.1261	2.1261
C2	1.4997		2.4236	2.7386	1.0857	1.0878	1.0878
O3	1.2006	2.4236		2.6247	2.5788	3.1112	3.1112
Cl4	1.7992	2.7386	2.6247		3.6919	2.9154	2.9154
H5	2.1162	1.0857	2.5788	3.6919		1.7863	1.7863
H6	2.1261	1.0878	3.1112	2.9154	1.7863		1.7597
H7	2.1261	1.0878	3.1112	2.9154	1.7863	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	108.822	C1	C2	H6	109.479
C1	C2	H7	109.479	C2	C1	O3	127.314
C2	C1	Cl4	111.915	O3	C1	Cl4	120.771
H5	C2	H6	110.541	H5	C2	H7	110.541
H6	C2	H7	107.963

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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