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	hartrees
Energy at 0K	-268.500285
Energy at 298.15K	-268.506992
HF Energy	-268.500285
Nuclear repulsion energy	181.471480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3054	6.12
2	A'	3151	3048	13.03
3	A'	3052	2953	7.93
4	A'	3051	2951	23.66
5	A'	1791	1733	270.44
6	A'	1499	1450	9.45
7	A'	1474	1426	20.46
8	A'	1471	1423	10.30
9	A'	1399	1353	38.67
10	A'	1262	1221	335.61
11	A'	1209	1170	0.96
12	A'	1070	1035	82.26
13	A'	984	952	1.45
14	A'	853	826	21.43
15	A'	642	621	5.05
16	A'	424	410	5.69
17	A'	282	272	12.54
18	A"	3119	3018	18.67
19	A"	3109	3008	4.67
20	A"	1486	1437	9.83
21	A"	1478	1430	6.52
22	A"	1173	1135	1.23
23	A"	1069	1034	6.17
24	A"	611	591	5.53
25	A"	178	173	6.54
26	A"	130	126	0.54
27	A"	40	39	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	1.471	0.000
C2	0.000	0.500	0.000
O3	-1.174	0.782	0.000
O4	0.467	-0.774	0.000
C5	-0.521	-1.802	0.000
H6	0.747	2.486	0.000
H7	1.760	1.320	0.880
H8	1.760	1.320	-0.880
H9	0.014	-2.748	0.000
H10	-1.153	-1.729	0.884
H11	-1.153	-1.729	-0.884

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4934	2.4091	2.3420	3.6680	1.0863	1.0902	1.0902	4.3656	4.0321	4.0321
C2	1.4934		1.2073	1.3569	2.3603	2.1215	2.1317	2.1317	3.2485	2.6612	2.6612
O3	2.4091	1.2073		2.2614	2.6653	2.5673	3.1100	3.1100	3.7252	2.6626	2.6626
O4	2.3420	1.3569	2.2614		1.4261	3.2716	2.6133	2.6133	2.0257	2.0786	2.0786
C5	3.6680	2.3603	2.6653	1.4261		4.4713	3.9653	3.9653	1.0875	1.0895	1.0895
H6	1.0863	2.1215	2.5673	3.2716	4.4713		1.7779	1.7779	5.2852	4.7073	4.7073
H7	1.0902	2.1317	3.1100	2.6133	3.9653	1.7779		1.7597	4.5134	4.2171	4.5713
H8	1.0902	2.1317	3.1100	2.6133	3.9653	1.7779	1.7597		4.5134	4.5713	4.2171
H9	4.3656	3.2485	3.7252	2.0257	1.0875	5.2852	4.5134	4.5134		1.7845	1.7845
H10	4.0321	2.6612	2.6626	2.0786	1.0895	4.7073	4.2171	4.5713	1.7845		1.7686
H11	4.0321	2.6612	2.6626	2.0786	1.0895	4.7073	4.5713	4.2171	1.7845	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.930	C1	C2	O4	110.420
C2	C1	H6	109.641	C2	C1	H7	110.226
C2	C1	H8	110.226	C2	O4	C5	115.997
O3	C2	O4	123.650	O4	C5	H9	106.625
O4	C5	H10	110.729	O4	C5	H11	110.729
H6	C1	H7	109.548	H6	C1	H8	109.548
H7	C1	H8	107.622	H9	C5	H10	110.116
H9	C5	H11	110.116	H10	C5	H11	108.525

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

using model chemistry: B3LYP/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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All results from a given calculation for CH3COOCH3 (methyl acetate)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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