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	hartrees
Energy at 0K	-268.407554
Energy at 298.15K
HF Energy	-268.407554
Nuclear repulsion energy	182.302421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3056	5.40
2	A'	3179	3041	13.56
3	A'	3081	2947	2.65
4	A'	3068	2935	28.99
5	A'	1836	1756	288.00
6	A'	1497	1432	19.79
7	A'	1482	1418	15.69
8	A'	1469	1405	13.38
9	A'	1401	1340	77.43
10	A'	1300	1244	326.92
11	A'	1224	1170	0.99
12	A'	1102	1054	61.38
13	A'	998	955	1.83
14	A'	877	839	19.25
15	A'	654	625	6.09
16	A'	430	412	6.06
17	A'	290	277	12.38
18	A"	3153	3016	4.28
19	A"	3144	3008	18.15
20	A"	1492	1427	10.58
21	A"	1476	1412	7.70
22	A"	1175	1124	1.14
23	A"	1065	1019	7.18
24	A"	608	582	5.27
25	A"	176	169	5.30
26	A"	101	97	1.67
27	A"	142i	136i	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.126	1.468	0.000
C2	0.000	0.493	0.000
O3	-1.171	0.767	0.000
O4	0.471	-0.769	0.000
C5	-0.517	-1.786	0.000
H6	0.731	2.479	0.000
H7	1.750	1.318	0.880
H8	1.750	1.318	-0.880
H9	0.014	-2.734	0.000
H10	-1.148	-1.707	0.885
H11	-1.148	-1.707	-0.885

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4893	2.4023	2.3312	3.6451	1.0858	1.0893	1.0893	4.3468	4.0048	4.0048
C2	1.4893		1.2028	1.3478	2.3370	2.1160	2.1253	2.1253	3.2275	2.6353	2.6353
O3	2.4023	1.2028		2.2489	2.6347	2.5595	3.1005	3.1005	3.6959	2.6277	2.6277
O4	2.3312	1.3478	2.2489		1.4177	3.2589	2.6013	2.6013	2.0173	2.0700	2.0700
C5	3.6451	2.3370	2.6347	1.4177		4.4436	3.9430	3.9430	1.0871	1.0894	1.0894
H6	1.0858	2.1160	2.5595	3.2589	4.4436		1.7783	1.7783	5.2623	4.6734	4.6734
H7	1.0893	2.1253	3.1005	2.6013	3.9430	1.7783		1.7605	4.4953	4.1894	4.5461
H8	1.0893	2.1253	3.1005	2.6013	3.9430	1.7783	1.7605		4.4953	4.5461	4.1894
H9	4.3468	3.2275	3.6959	2.0173	1.0871	5.2623	4.4953	4.4953		1.7851	1.7851
H10	4.0048	2.6353	2.6277	2.0700	1.0894	4.6734	4.1894	4.5461	1.7851		1.7697
H11	4.0048	2.6353	2.6277	2.0700	1.0894	4.6734	4.5461	4.1894	1.7851	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.000	C1	C2	O4	110.405
C2	C1	H6	109.511	C2	C1	H7	110.052
C2	C1	H8	110.052	C2	O4	C5	115.324
O3	C2	O4	123.595	O4	C5	H9	106.540
O4	C5	H10	110.629	O4	C5	H11	110.629
H6	C1	H7	109.687	H6	C1	H8	109.687
H7	C1	H8	107.830	H9	C5	H10	110.206
H9	C5	H11	110.206	H10	C5	H11	108.628

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.551
2	C	0.497
3	O	-0.685
4	O	-0.297
5	C	-0.659
6	H	0.280
7	H	0.253
8	H	0.253
9	H	0.273
10	H	0.318
11	H	0.318

	x	y	z	Total
	1.679	-0.967	0.000	1.938
CHELPG
AIM
ESP

	x	y	z
x	7.059	0.411	0.000
y	0.411	7.853	0.000
z	0.000	0.000	5.429

<r²>	119.247
(<r²>)^1/2	10.920

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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