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	hartrees
Energy at 0K	-612.458337
Energy at 298.15K	-612.461646
HF Energy	-611.864498
Nuclear repulsion energy	147.910433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3080	2.89
2	A'	3106	2958	0.89
3	A'	1875	1786	239.63
4	A'	1461	1392	12.11
5	A'	1385	1319	23.73
6	A'	1127	1074	162.54
7	A'	979	933	46.43
8	A'	610	581	134.45
9	A'	442	421	20.60
10	A'	350	333	0.79
11	A"	3212	3059	0.05
12	A"	1470	1400	11.84
13	A"	1042	993	3.22
14	A"	522	497	1.78
15	A"	164	156	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.538	0.000
C2	1.497	0.702	0.000
O3	-0.837	1.391	0.000
Cl4	-0.462	-1.220	0.000
H5	1.745	1.772	0.000
H6	1.915	0.205	0.889
H7	1.915	0.205	-0.889

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.5056	1.1950	1.8181	2.1376	2.1372	2.1372
C2	1.5056		2.4334	2.7444	1.0989	1.1008	1.1008
O3	1.1950	2.4334		2.6381	2.6105	3.1255	3.1255
Cl4	1.8181	2.7444	2.6381		3.7187	2.9109	2.9109
H5	2.1376	1.0989	2.6105	3.7187		1.8094	1.8094
H6	2.1372	1.1008	3.1255	2.9109	1.8094		1.7782
H7	2.1372	1.1008	3.1255	2.9109	1.8094	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.322	C1	C2	H6	109.183
C1	C2	H7	109.183	C2	C1	O3	128.223
C2	C1	Cl4	110.968	O3	C1	Cl4	120.809
H5	C2	H6	110.683	H5	C2	H7	110.683
H6	C2	H7	107.750

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

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

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