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	hartrees
Energy at 0K	-267.659318
Energy at 298.15K	-267.666165
HF Energy	-266.843615
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3059	9.33
2	A'	3246	3056	17.71
3	A'	3131	2947	13.41
4	A'	3130	2946	18.86
5	A'	1858	1749	207.70
6	A'	1557	1466	6.31
7	A'	1533	1444	12.30
8	A'	1521	1432	8.59
9	A'	1457	1372	54.47
10	A'	1330	1252	331.21
11	A'	1241	1168	2.71
12	A'	1116	1051	67.11
13	A'	1018	959	3.40
14	A'	880	828	17.91
15	A'	654	616	8.57
16	A'	429	404	6.57
17	A'	292	275	11.94
18	A"	3219	3030	25.15
19	A"	3211	3023	7.09
20	A"	1545	1455	4.30
21	A"	1535	1445	5.58
22	A"	1206	1136	2.43
23	A"	1097	1032	5.61
24	A"	607	572	8.95
25	A"	181	171	6.71
26	A"	149	141	0.66
27	A"	74	70	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.123	1.498	0.000
C2	0.000	0.492	0.000
O3	-1.187	0.750	0.000
O4	0.490	-0.772	0.000
C5	-0.518	-1.798	0.000
H6	0.707	2.501	0.000
H7	1.748	1.350	0.880
H8	1.748	1.350	-0.880
H9	0.028	-2.737	0.000
H10	-1.144	-1.718	0.886
H11	-1.144	-1.718	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5078	2.4280	2.3568	3.6823	1.0858	1.0894	1.0894	4.3743	4.0331	4.0331
C2	1.5078		1.2145	1.3559	2.3483	2.1294	2.1367	2.1367	3.2292	2.6414	2.6414
O3	2.4280	1.2145		2.2648	2.6349	2.5788	3.1218	3.1218	3.6927	2.6224	2.6224
O4	2.3568	1.3559	2.2648		1.4383	3.2801	2.6194	2.6194	2.0184	2.0856	2.0856
C5	3.6823	2.3483	2.6349	1.4383		4.4702	3.9776	3.9776	1.0857	1.0883	1.0883
H6	1.0858	2.1294	2.5788	3.2801	4.4702		1.7839	1.7839	5.2816	4.6910	4.6910
H7	1.0894	2.1367	3.1218	2.6194	3.9776	1.7839		1.7609	4.5208	4.2158	4.5711
H8	1.0894	2.1367	3.1218	2.6194	3.9776	1.7839	1.7609		4.5208	4.5711	4.2158
H9	4.3743	3.2292	3.6927	2.0184	1.0857	5.2816	4.5208	4.5208		1.7884	1.7884
H10	4.0331	2.6414	2.6224	2.0856	1.0883	4.6910	4.2158	4.5711	1.7884		1.7727
H11	4.0331	2.6414	2.6224	2.0856	1.0883	4.6910	4.5711	4.2158	1.7884	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.887	C1	C2	O4	110.660
C2	C1	H6	109.294	C2	C1	H7	109.662
C2	C1	H8	109.662	C2	O4	C5	114.334
O3	C2	O4	123.453	O4	C5	H9	105.346
O4	C5	H10	110.501	O4	C5	H11	110.501
H6	C1	H7	110.186	H6	C1	H8	110.186
H7	C1	H8	107.833	H9	C5	H10	110.699
H9	C5	H11	110.699	H10	C5	H11	109.063

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

using model chemistry: QCISD/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 CH3COOCH3 (methyl acetate)

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

States and conformations

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