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	hartrees
Energy at 0K	-267.481892
Energy at 298.15K	-267.488878
HF Energy	-266.836116
Nuclear repulsion energy	182.025928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3054	19.17
2	A'	3305	3053	4.69
3	A'	3196	2952	26.31
4	A'	3188	2945	1.97
5	A'	1953	1804	267.93
6	A'	1596	1475	7.07
7	A'	1575	1455	27.26
8	A'	1567	1447	10.26
9	A'	1506	1391	87.20
10	A'	1392	1286	361.02
11	A'	1286	1188	1.73
12	A'	1168	1079	63.63
13	A'	1056	976	3.10
14	A'	923	853	18.09
15	A'	680	628	10.47
16	A'	444	410	7.26
17	A'	300	277	13.57
18	A"	3283	3033	21.94
19	A"	3264	3015	5.05
20	A"	1587	1466	5.90
21	A"	1570	1450	7.70
22	A"	1249	1154	2.18
23	A"	1137	1050	9.47
24	A"	640	591	10.63
25	A"	188	173	6.91
26	A"	162	150	1.48
27	A"	88	81	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.119	1.488	0.000
C2	0.000	0.488	0.000
O3	-1.172	0.751	0.000
O4	0.473	-0.764	0.000
C5	-0.514	-1.792	0.000
H6	0.707	2.490	0.000
H7	1.744	1.340	0.878
H8	1.744	1.340	-0.878
H9	0.038	-2.725	0.000
H10	-1.139	-1.720	0.885
H11	-1.139	-1.720	-0.885

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5007	2.4068	2.3431	3.6644	1.0838	1.0876	1.0876	4.3497	4.0215	4.0215
C2	1.5007		1.2009	1.3391	2.3379	2.1231	2.1300	2.1300	3.2136	2.6373	2.6373
O3	2.4068	1.2009		2.2367	2.6272	2.5602	3.1015	3.1015	3.6805	2.6246	2.6246
O4	2.3431	1.3391	2.2367		1.4253	3.2629	2.6100	2.6100	2.0086	2.0724	2.0724
C5	3.6644	2.3379	2.6272	1.4253		4.4532	3.9596	3.9596	1.0834	1.0856	1.0856
H6	1.0838	2.1231	2.5602	3.2629	4.4532		1.7804	1.7804	5.2581	4.6813	4.6813
H7	1.0876	2.1300	3.1015	2.6100	3.9596	1.7804		1.7560	4.4950	4.2038	4.5583
H8	1.0876	2.1300	3.1015	2.6100	3.9596	1.7804	1.7560		4.4950	4.5583	4.2038
H9	4.3497	3.2136	3.6805	2.0086	1.0834	5.2581	4.4950	4.4950		1.7824	1.7824
H10	4.0215	2.6373	2.6246	2.0724	1.0856	4.6813	4.2038	4.5583	1.7824		1.7691
H11	4.0215	2.6373	2.6246	2.0724	1.0856	4.6813	4.5583	4.2038	1.7824	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.597	C1	C2	O4	111.066
C2	C1	H6	109.399	C2	C1	H7	109.727
C2	C1	H8	109.727	C2	O4	C5	115.465
O3	C2	O4	123.337	O4	C5	H9	105.574
O4	C5	H10	110.523	O4	C5	H11	110.523
H6	C1	H7	110.154	H6	C1	H8	110.154
H7	C1	H8	107.659	H9	C5	H10	110.527
H9	C5	H11	110.527	H10	C5	H11	109.136

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

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

States and conformations

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