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	hartrees
Energy at 0K	-265.892360
Energy at 298.15K	-265.899030
HF Energy	-265.342092
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3031	7.58
2	A'	3150	3028	15.81
3	A'	3057	2938	2.33
4	A'	3048	2929	19.13
5	A'	1750	1682	116.18
6	A'	1579	1518	7.01
7	A'	1551	1490	17.96
8	A'	1504	1446	3.59
9	A'	1458	1401	21.72
10	A'	1256	1207	304.47
11	A'	1197	1151	9.16
12	A'	1076	1034	81.52
13	A'	971	933	2.72
14	A'	804	773	16.71
15	A'	629	605	7.13
16	A'	405	389	6.28
17	A'	270	259	12.95
18	A"	3119	2998	5.66
19	A"	3110	2989	25.82
20	A"	1563	1502	5.82
21	A"	1557	1496	7.22
22	A"	1178	1132	0.61
23	A"	1113	1069	8.66
24	A"	589	566	7.79
25	A"	169	163	10.34
26	A"	105	101	0.31
27	A"	95	91	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.158	1.510	0.000
C2	0.000	0.520	0.000
O3	-1.207	0.770	0.000
O4	0.501	-0.781	0.000
C5	-0.545	-1.837	0.000
H6	0.757	2.528	0.000
H7	1.779	1.344	0.889
H8	1.779	1.344	-0.889
H9	0.014	-2.776	0.000
H10	-1.178	-1.755	0.892
H11	-1.178	-1.755	-0.892

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5235	2.4781	2.3839	3.7556	1.0941	1.0975	1.0975	4.4363	4.1126	4.1126
C2	1.5235		1.2326	1.3944	2.4194	2.1458	2.1532	2.1532	3.2963	2.7129	2.7129
O3	2.4781	1.2326		2.3071	2.6899	2.6358	3.1684	3.1684	3.7506	2.6783	2.6783
O4	2.3839	1.3944	2.3071		1.4859	3.3193	2.6352	2.6352	2.0533	2.1357	2.1357
C5	3.7556	2.4194	2.6899	1.4859		4.5551	4.0392	4.0392	1.0930	1.0967	1.0967
H6	1.0941	2.1458	2.6358	3.3193	4.5551		1.7993	1.7993	5.3559	4.7838	4.7838
H7	1.0975	2.1532	3.1684	2.6352	4.0392	1.7993		1.7787	4.5700	4.2839	4.6395
H8	1.0975	2.1532	3.1684	2.6352	4.0392	1.7993	1.7787		4.5700	4.6395	4.2839
H9	4.4363	3.2963	3.7506	2.0533	1.0930	5.3559	4.5700	4.5700		1.8052	1.8052
H10	4.1126	2.7129	2.6783	2.1357	1.0967	4.7838	4.2839	4.6395	1.8052		1.7840
H11	4.1126	2.7129	2.6783	2.1357	1.0967	4.7838	4.6395	4.2839	1.8052	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.773	C1	C2	O4	109.489
C2	C1	H6	109.021	C2	C1	H7	109.399
C2	C1	H8	109.399	C2	O4	C5	114.235
O3	C2	O4	122.738	O4	C5	H9	104.499
O4	C5	H10	110.667	O4	C5	H11	110.667
H6	C1	H7	110.372	H6	C1	H8	110.372
H7	C1	H8	108.260	H9	C5	H10	111.061
H9	C5	H11	111.061	H10	C5	H11	108.855

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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