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	hartrees
Energy at 0K	-266.821425
Energy at 298.15K	-266.827873
Nuclear repulsion energy	176.548699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3086	8.61
2	A'	3076	3059	5.24
3	A'	3002	2986	2.10
4	A'	2988	2972	38.86
5	A'	1697	1688	116.98
6	A'	1519	1511	6.26
7	A'	1496	1488	19.97
8	A'	1409	1402	25.36
9	A'	1398	1391	24.94
10	A'	1164	1157	187.03
11	A'	1144	1137	27.84
12	A'	994	988	124.93
13	A'	924	919	18.26
14	A'	752	748	22.84
15	A'	603	599	1.73
16	A'	409	407	9.55
17	A'	288	286	10.91
18	A"	3063	3046	28.55
19	A"	3054	3038	5.54
20	A"	1529	1521	5.23
21	A"	1508	1500	9.01
22	A"	1109	1103	0.10
23	A"	1061	1055	6.87
24	A"	565	562	2.03
25	A"	167	167	7.82
26	A"	88	88	0.15
27	A"	34	33	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.209	1.466	0.000
C2	0.000	0.532	0.000
O3	-1.197	0.843	0.000
O4	0.477	-0.796	0.000
C5	-0.589	-1.853	0.000
H6	0.864	2.507	0.000
H7	1.827	1.268	0.889
H8	1.827	1.268	-0.889
H9	-1.573	-1.364	0.000
H10	-0.450	-2.465	-0.903
H11	-0.450	-2.465	0.903

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5272	2.4851	2.3779	3.7742	1.0967	1.1014	1.1014	3.9684	4.3608	4.3608
C2	1.5272		1.2370	1.4118	2.4568	2.1556	2.1610	2.1610	2.4641	3.1623	3.1623
O3	2.4851	1.2370		2.3432	2.7639	2.6492	3.1809	3.1809	2.2393	3.5094	3.5094
O4	2.3779	1.4118	2.3432		1.5003	3.3263	2.6219	2.6219	2.1269	2.1111	2.1111
C5	3.7742	2.4568	2.7639	1.5003		4.5957	4.0452	4.0452	1.0990	1.0993	1.0993
H6	1.0967	2.1556	2.6492	3.3263	4.5957		1.8042	1.8042	4.5747	5.2213	5.2213
H7	1.1014	2.1610	3.1809	2.6219	4.0452	1.8042		1.7787	4.3907	4.7251	4.3721
H8	1.1014	2.1610	3.1809	2.6219	4.0452	1.8042	1.7787		4.3907	4.3721	4.7251
H9	3.9684	2.4641	2.2393	2.1269	1.0990	4.5747	4.3907	4.3907		1.8130	1.8130
H10	4.3608	3.1623	3.5094	2.1111	1.0993	5.2213	4.7251	4.3721	1.8130		1.8053
H11	4.3608	3.1623	3.5094	2.1111	1.0993	5.2213	4.3721	4.7251	1.8130	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.758	C1	C2	O4	107.953
C2	C1	H6	109.384	C2	C1	H7	109.528
C2	C1	H8	109.528	C2	O4	C5	115.025
O3	C2	O4	124.289	O4	C5	H9	108.844
O4	C5	H10	107.601	O4	C5	H11	107.601
H6	C1	H7	110.338	H6	C1	H8	110.338
H7	C1	H8	107.701	H9	C5	H10	111.128
H9	C5	H11	111.128	H10	C5	H11	110.396

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.587
2	C	0.563
3	O	-0.438
4	O	-0.441
5	C	-0.346
6	H	0.208
7	H	0.217
8	H	0.217
9	H	0.211
10	H	0.197
11	H	0.197

	x	y	z	Total
	1.134	-0.896	0.000	1.446
CHELPG
AIM
ESP

<r²>	123.423
(<r²>)^1/2	11.110

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

using model chemistry: BLYP/3-21G

States and conformations

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