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	hartrees
Energy at 0K	-52.124893
Energy at 298.15K	-52.131585
HF Energy	-51.371036
Nuclear repulsion energy	100.459137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3079	17.36
2	A'	3225	3073	6.33
3	A'	3095	2949	36.10
4	A'	3093	2947	0.78
5	A'	1772	1688	216.33
6	A'	1534	1461	8.36
7	A'	1513	1442	17.23
8	A'	1501	1430	10.04
9	A'	1436	1368	55.55
10	A'	1289	1229	340.48
11	A'	1223	1166	1.23
12	A'	1088	1037	79.02
13	A'	999	952	4.52
14	A'	857	816	25.84
15	A'	638	608	6.31
16	A'	422	402	5.89
17	A'	290	276	11.89
18	A"	3201	3050	23.64
19	A"	3188	3038	6.87
20	A"	1521	1449	7.24
21	A"	1511	1440	9.52
22	A"	1185	1129	1.51
23	A"	1075	1024	3.28
24	A"	588	561	5.58
25	A"	184	176	7.01
26	A"	151	144	1.53
27	A"	18	17	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	1.126	1.514	0.000
C2	0.000	0.496	0.000
O3	-1.201	0.746	0.000
O4	0.502	-0.777	0.000
C5	-0.519	-1.811	0.000
H6	0.697	2.515	0.000
H7	1.752	1.368	0.884
H8	1.752	1.368	-0.884
H9	0.036	-2.748	0.000
H10	-1.144	-1.723	0.892
H11	-1.144	-1.723	-0.892

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5176	2.4503	2.3738	3.7090	1.0898	1.0933	1.0933	4.3992	4.0524	4.0524
C2	1.5176		1.2269	1.3685	2.3643	2.1362	2.1477	2.1477	3.2445	2.6510	2.6510
O3	2.4503	1.2269		2.2851	2.6461	2.5948	3.1450	3.1450	3.7068	2.6259	2.6259
O4	2.3738	1.3685	2.2851		1.4534	3.2980	2.6352	2.6352	2.0259	2.0977	2.0977
C5	3.7090	2.3643	2.6461	1.4534		4.4937	4.0055	4.0055	1.0895	1.0924	1.0924
H6	1.0898	2.1362	2.5948	3.2980	4.4937		1.7923	1.7923	5.3051	4.7061	4.7061
H7	1.0933	2.1477	3.1450	2.6352	4.0055	1.7923		1.7685	4.5467	4.2356	4.5929
H8	1.0933	2.1477	3.1450	2.6352	4.0055	1.7923	1.7685		4.5467	4.5929	4.2356
H9	4.3992	3.2445	3.7068	2.0259	1.0895	5.3051	4.5467	4.5467		1.7992	1.7992
H10	4.0524	2.6510	2.6259	2.0977	1.0924	4.7061	4.2356	4.5929	1.7992		1.7840
H11	4.0524	2.6510	2.6259	2.0977	1.0924	4.7061	4.5929	4.2356	1.7992	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.132	C1	C2	O4	110.569
C2	C1	H6	108.926	C2	C1	H7	109.612
C2	C1	H8	109.612	C2	O4	C5	113.799
O3	C2	O4	123.299	O4	C5	H9	104.729
O4	C5	H10	110.169	O4	C5	H11	110.169
H6	C1	H7	110.366	H6	C1	H8	110.366
H7	C1	H8	107.946	H9	C5	H10	111.103
H9	C5	H11	111.103	H10	C5	H11	109.492

All results from a given calculation for CH₃COOCH₃ (methyl acetate)

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 CH3COOCH3 (methyl acetate)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for CH₃COOCH₃ (methyl acetate)