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	hartrees
Energy at 0K	-268.246173
Energy at 298.15K	-268.238947
HF Energy	-268.410706
Nuclear repulsion energy	181.505288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3059	6.93
2	A'	3157	3047	16.03
3	A'	3058	2951	3.35
4	A'	3051	2944	26.53
5	A'	1828	1764	215.53
6	A'	1498	1446	6.77
7	A'	1475	1423	18.67
8	A'	1469	1417	9.22
9	A'	1393	1344	42.09
10	A'	1273	1228	318.79
11	A'	1211	1168	1.49
12	A'	1079	1041	69.23
13	A'	986	951	1.29
14	A'	860	830	15.74
15	A'	644	622	5.57
16	A'	419	405	6.35
17	A'	282	272	11.14
18	A"	3124	3015	21.49
19	A"	3122	3013	4.36
20	A"	1482	1430	7.07
21	A"	1476	1424	5.01
22	A"	1179	1138	1.28
23	A"	1065	1028	7.03
24	A"	609	587	5.27
25	A"	179	173	5.73
26	A"	118	114	0.21
27	A"	47	46	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.138	1.485	0.000
C2	0.000	0.493	0.000
O3	-1.174	0.765	0.000
O4	0.472	-0.773	0.000
C5	-0.529	-1.798	0.000
H6	0.736	2.497	0.000
H7	1.768	1.333	0.881
H8	1.768	1.333	-0.881
H9	0.014	-2.743	0.000
H10	-1.162	-1.720	0.888
H11	-1.162	-1.720	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5096	2.4211	2.3538	3.6816	1.0892	1.0936	1.0936	4.3748	4.0436	4.0436
C2	1.5096		1.2047	1.3507	2.3508	2.1353	2.1466	2.1466	3.2359	2.6525	2.6525
O3	2.4211	1.2047		2.2521	2.6425	2.5783	3.1230	3.1230	3.7035	2.6389	2.6389
O4	2.3538	1.3507	2.2521		1.4326	3.2806	2.6247	2.6247	2.0228	2.0870	2.0870
C5	3.6816	2.3508	2.6425	1.4326		4.4774	3.9815	3.9815	1.0901	1.0930	1.0930
H6	1.0892	2.1353	2.5783	3.2806	4.4774		1.7881	1.7881	5.2898	4.7093	4.7093
H7	1.0936	2.1466	3.1230	2.6247	3.9815	1.7881		1.7612	4.5238	4.2318	4.5864
H8	1.0936	2.1466	3.1230	2.6247	3.9815	1.7881	1.7612		4.5238	4.5864	4.2318
H9	4.3748	3.2359	3.7035	2.0228	1.0901	5.2898	4.5238	4.5238		1.7937	1.7937
H10	4.0436	2.6525	2.6389	2.0870	1.0930	4.7093	4.2318	4.5864	1.7937		1.7752
H11	4.0436	2.6525	2.6389	2.0870	1.0930	4.7093	4.5864	4.2318	1.7937	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.505	C1	C2	O4	110.579
C2	C1	H6	109.289	C2	C1	H7	110.159
C2	C1	H8	110.159	C2	O4	C5	115.886
O3	C2	O4	123.916	O4	C5	H9	106.068
O4	C5	H10	110.898	O4	C5	H11	110.898
H6	C1	H7	109.977	H6	C1	H8	109.977
H7	C1	H8	107.260	H9	C5	H10	110.225
H9	C5	H11	110.225	H10	C5	H11	108.524

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

using model chemistry: G4

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	-0.477
2	C	0.429
3	O	-0.350
4	O	-0.225
5	C	-0.235
6	H	0.148
7	H	0.150
8	H	0.150
9	H	0.131
10	H	0.140
11	H	0.140

	x	y	z	Total
	1.497	-0.922	0.000	1.758
CHELPG
AIM
ESP

<r²>	119.760
(<r²>)^1/2	10.943

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

using model chemistry: G4

States and conformations

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