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	hartrees
Energy at 0K	-265.881330
Energy at 298.15K	-265.888076
HF Energy	-265.343467
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3028	7.31
2	A'	3161	3023	16.39
3	A'	3069	2936	2.05
4	A'	3058	2925	18.12
5	A'	1805	1727	122.27
6	A'	1585	1516	6.64
7	A'	1556	1489	15.67
8	A'	1515	1449	3.89
9	A'	1463	1400	24.68
10	A'	1276	1220	336.75
11	A'	1207	1154	8.36
12	A'	1093	1045	66.77
13	A'	988	945	1.74
14	A'	822	786	18.93
15	A'	639	611	7.92
16	A'	410	392	6.21
17	A'	273	261	13.08
18	A"	3132	2995	5.51
19	A"	3119	2983	26.64
20	A"	1569	1501	5.89
21	A"	1561	1493	7.44
22	A"	1186	1135	0.67
23	A"	1119	1071	8.90
24	A"	595	569	7.68
25	A"	168	161	10.57
26	A"	118	113	0.16
27	A"	106	102	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	1.156	1.507	0.000
C2	0.000	0.518	0.000
O3	-1.200	0.771	0.000
O4	0.494	-0.779	0.000
C5	-0.544	-1.834	0.000
H6	0.755	2.524	0.000
H7	1.777	1.341	0.889
H8	1.777	1.341	-0.889
H9	0.016	-2.772	0.000
H10	-1.177	-1.756	0.891
H11	-1.177	-1.756	-0.891

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5210	2.4680	2.3800	3.7479	1.0936	1.0969	1.0969	4.4280	4.1093	4.1093
C2	1.5210		1.2258	1.3885	2.4140	2.1435	2.1505	2.1505	3.2904	2.7119	2.7119
O3	2.4680	1.2258		2.2958	2.6856	2.6263	3.1585	3.1585	3.7454	2.6797	2.6797
O4	2.3800	1.3885	2.2958		1.4792	3.3140	2.6327	2.6327	2.0492	2.1312	2.1312
C5	3.7479	2.4140	2.6856	1.4792		4.5474	4.0315	4.0315	1.0926	1.0964	1.0964
H6	1.0936	2.1435	2.6263	3.3140	4.5474		1.7985	1.7985	5.3477	4.7805	4.7805
H7	1.0969	2.1505	3.1585	2.6327	4.0315	1.7985		1.7776	4.5614	4.2802	4.6356
H8	1.0969	2.1505	3.1585	2.6327	4.0315	1.7985	1.7776		4.5614	4.6356	4.2802
H9	4.4280	3.2904	3.7454	2.0492	1.0926	5.3477	4.5614	4.5614		1.8028	1.8028
H10	4.1093	2.7119	2.6797	2.1312	1.0964	4.7805	4.2802	4.6356	1.8028		1.7829
H11	4.1093	2.7119	2.6797	2.1312	1.0964	4.7805	4.6356	4.2802	1.8028	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.594	C1	C2	O4	109.690
C2	C1	H6	109.040	C2	C1	H7	109.392
C2	C1	H8	109.392	C2	O4	C5	114.617
O3	C2	O4	122.715	O4	C5	H9	104.646
O4	C5	H10	110.799	O4	C5	H11	110.799
H6	C1	H7	110.378	H6	C1	H8	110.378
H7	C1	H8	108.243	H9	C5	H10	110.888
H9	C5	H11	110.888	H10	C5	H11	108.795

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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