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	hartrees
Energy at 0K	-43.365254
Energy at 298.15K	-43.368409
HF Energy	-43.009172
Nuclear repulsion energy	57.949595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3059	7.39
2	A'	3001	2929	4.31
3	A'	1679	1639	241.78
4	A'	1503	1467	23.10
5	A'	1449	1415	23.61
6	A'	1140	1113	108.43
7	A'	947	924	94.33
8	A'	549	536	144.01
9	A'	385	376	43.36
10	A'	320	312	1.57
11	A"	3116	3041	3.70
12	A"	1488	1452	15.89
13	A"	1081	1055	1.51
14	A"	479	468	2.46
15	A"	157	154	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.580	0.000
C2	1.516	0.793	0.000
O3	-0.906	1.423	0.000
Cl4	-0.439	-1.301	0.000
H5	1.722	1.872	0.000
H6	1.951	0.315	0.890
H7	1.951	0.315	-0.890

	C1	C2	O3	Cl4	H5	H6	H7
C1		1.5306	1.2379	1.9320	2.1525	2.1604	2.1604
C2	1.5306		2.5028	2.8648	1.0984	1.0998	1.0998
O3	1.2379	2.5028		2.7641	2.6665	3.1912	3.1912
Cl4	1.9320	2.8648	2.7641		3.8390	3.0192	3.0192
H5	2.1525	1.0984	2.6665	3.8390		1.8077	1.8077
H6	2.1604	1.0998	3.1912	3.0192	1.8077		1.7797
H7	2.1604	1.0998	3.1912	3.0192	1.8077	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	108.814	C1	C2	H6	109.347
C1	C2	H7	109.347	C2	C1	O3	129.089
C2	C1	Cl4	111.129	O3	C1	Cl4	119.782
H5	C2	H6	110.645	H5	C2	H7	110.645
H6	C2	H7	108.021

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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