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	hartrees
Energy at 0K	-612.439623
Energy at 298.15K	-612.442975
HF Energy	-611.835108
Nuclear repulsion energy	149.176441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3050	4.06
2	A'	3160	2940	0.54
3	A'	1950	1815	275.33
4	A'	1532	1425	11.20
5	A'	1456	1355	20.43
6	A'	1173	1091	165.08
7	A'	1012	941	49.64
8	A'	647	602	118.78
9	A'	474	442	8.10
10	A'	355	330	0.86
11	A"	3249	3023	1.41
12	A"	1533	1427	10.19
13	A"	1086	1010	2.39
14	A"	531	494	3.56
15	A"	145	135	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.530	0.000
C2	1.487	0.720	0.000
O3	-0.841	1.366	0.000
Cl4	-0.454	-1.218	0.000
H5	1.703	1.783	0.000
H6	1.913	0.244	0.879
H7	1.913	0.244	-0.879

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.4994	1.1856	1.8057	2.1144	2.1244	2.1244
C2	1.4994		2.4161	2.7432	1.0846	1.0867	1.0867
O3	1.1856	2.4161		2.6122	2.5780	3.1006	3.1006
Cl4	1.8057	2.7432	2.6122		3.6958	2.9174	2.9174
H5	2.1144	1.0846	2.5780	3.6958		1.7850	1.7850
H6	2.1244	1.0867	3.1006	2.9174	1.7850		1.7584
H7	2.1244	1.0867	3.1006	2.9174	1.7850	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	108.763	C1	C2	H6	109.427
C1	C2	H7	109.427	C2	C1	O3	127.888
C2	C1	Cl4	111.860	O3	C1	Cl4	120.252
H5	C2	H6	110.598	H5	C2	H7	110.598
H6	C2	H7	108.010

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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