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	hartrees
Energy at 0K	-268.458757
Energy at 298.15K	-268.465445
Nuclear repulsion energy	180.801381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3056	25.14
2	A'	3161	3054	7.14
3	A'	3056	2953	32.47
4	A'	3055	2952	2.53
5	A'	1817	1755	246.69
6	A'	1518	1466	9.20
7	A'	1491	1441	19.88
8	A'	1485	1435	12.19
9	A'	1409	1362	50.65
10	A'	1270	1227	335.41
11	A'	1219	1178	1.19
12	A'	1076	1040	82.36
13	A'	988	955	1.85
14	A'	861	832	20.69
15	A'	646	624	5.35
16	A'	423	409	6.05
17	A'	282	273	11.80
18	A"	3126	3021	29.20
19	A"	3113	3008	9.57
20	A"	1502	1451	9.68
21	A"	1492	1442	8.72
22	A"	1183	1143	0.88
23	A"	1074	1038	7.17
24	A"	608	588	6.02
25	A"	180	174	6.90
26	A"	127	123	0.27
27	A"	38	37	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	1.137	1.487	0.000
C2	0.000	0.495	0.000
O3	-1.173	0.769	0.000
O4	0.470	-0.773	0.000
C5	-0.529	-1.806	0.000
H6	0.737	2.499	0.000
H7	1.767	1.338	0.879
H8	1.767	1.338	-0.879
H9	0.022	-2.743	0.000
H10	-1.159	-1.731	0.887
H11	-1.159	-1.731	-0.887

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5086	2.4190	2.3562	3.6900	1.0880	1.0924	1.0924	4.3749	4.0515	4.0515
C2	1.5086		1.2046	1.3524	2.3609	2.1349	2.1464	2.1464	3.2388	2.6623	2.6623
O3	2.4190	1.2046		2.2532	2.6541	2.5771	3.1215	3.1215	3.7103	2.6533	2.6533
O4	2.3562	1.3524	2.2532		1.4366	3.2826	2.6290	2.6290	2.0208	2.0877	2.0877
C5	3.6900	2.3609	2.6541	1.4366		4.4868	3.9908	3.9908	1.0877	1.0908	1.0908
H6	1.0880	2.1349	2.5771	3.2826	4.4868		1.7842	1.7842	5.2909	4.7198	4.7198
H7	1.0924	2.1464	3.1215	2.6290	3.9908	1.7842		1.7589	4.5249	4.2404	4.5938
H8	1.0924	2.1464	3.1215	2.6290	3.9908	1.7842	1.7589		4.5249	4.5938	4.2404
H9	4.3749	3.2388	3.7103	2.0208	1.0877	5.2909	4.5249	4.5249		1.7906	1.7906
H10	4.0515	2.6623	2.6533	2.0877	1.0908	4.7198	4.2404	4.5938	1.7906		1.7749
H11	4.0515	2.6623	2.6533	2.0877	1.0908	4.7198	4.5938	4.2404	1.7906	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.764	C1	C2	O4	110.769
C2	C1	H6	109.543	C2	C1	H7	110.191
C2	C1	H8	110.191	C2	O4	C5	115.635
O3	C2	O4	123.467	O4	C5	H9	105.530
O4	C5	H10	110.634	O4	C5	H11	110.634
H6	C1	H7	109.829	H6	C1	H8	109.829
H7	C1	H8	107.229	H9	C5	H10	110.564
H9	C5	H11	110.564	H10	C5	H11	108.895

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	-0.677	-0.605
2	C	0.398	0.163
3	O	-0.346	0.164
4	O	-0.304	0.164
5	C	-0.437	0.070
6	H	0.238	0.070
7	H	0.235	-0.053
8	H	0.235	-0.422
9	H	0.217	-0.555
10	H	0.220	0.880
11	H	0.220	0.122

	x	y	z	Total
	1.475	-1.010	0.000	1.788
CHELPG
AIM
ESP	-2.376	-3.843	0.000	4.518

	x	y	z
x	5.647	-0.195	0.000
y	-0.195	7.276	0.000
z	0.000	0.000	4.412

<r²>	119.226
(<r²>)^1/2	10.919

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

using model chemistry: B3LYP/6-311G*

States and conformations

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