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	hartrees
Energy at 0K	-267.663935
Energy at 298.15K	-267.670772
HF Energy	-266.851164
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3068	16.36
2	A'	3253	3065	5.23
3	A'	3136	2955	32.35
4	A'	3133	2952	1.86
5	A'	1865	1757	277.84
6	A'	1553	1463	8.33
7	A'	1528	1440	15.31
8	A'	1523	1435	10.77
9	A'	1458	1374	60.39
10	A'	1335	1258	362.62
11	A'	1244	1172	1.81
12	A'	1124	1059	63.78
13	A'	1023	964	3.91
14	A'	886	835	23.30
15	A'	657	619	8.65
16	A'	432	407	5.68
17	A'	291	275	13.14
18	A"	3227	3041	21.01
19	A"	3215	3030	5.58
20	A"	1537	1448	6.27
21	A"	1525	1437	7.51
22	A"	1206	1136	2.86
23	A"	1097	1033	4.12
24	A"	615	579	8.32
25	A"	178	167	7.43
26	A"	153	144	1.42
27	A"	60	57	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.119	1.501	0.000
C2	0.000	0.493	0.000
O3	-1.185	0.752	0.000
O4	0.484	-0.769	0.000
C5	-0.512	-1.806	0.000
H6	0.699	2.502	0.000
H7	1.743	1.354	0.881
H8	1.743	1.354	-0.881
H9	0.046	-2.737	0.000
H10	-1.136	-1.731	0.888
H11	-1.136	-1.731	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5059	2.4227	2.3571	3.6875	1.0857	1.0894	1.0894	4.3719	4.0396	4.0396
C2	1.5059		1.2126	1.3521	2.3560	2.1269	2.1344	2.1344	3.2310	2.6507	2.6507
O3	2.4227	1.2126		2.2580	2.6453	2.5715	3.1164	3.1164	3.6999	2.6373	2.6373
O4	2.3571	1.3521	2.2580		1.4380	3.2782	2.6210	2.6210	2.0164	2.0828	2.0828
C5	3.6875	2.3560	2.6453	1.4380		4.4754	3.9813	3.9813	1.0853	1.0880	1.0880
H6	1.0857	2.1269	2.5715	3.2782	4.4754		1.7841	1.7841	5.2799	4.6984	4.6984
H7	1.0894	2.1344	3.1164	2.6210	3.9813	1.7841		1.7616	4.5163	4.2199	4.5756
H8	1.0894	2.1344	3.1164	2.6210	3.9813	1.7841	1.7616		4.5163	4.5756	4.2199
H9	4.3719	3.2310	3.6999	2.0164	1.0853	5.2799	4.5163	4.5163		1.7883	1.7883
H10	4.0396	2.6507	2.6373	2.0828	1.0880	4.6984	4.2199	4.5756	1.7883		1.7760
H11	4.0396	2.6507	2.6373	2.0828	1.0880	4.6984	4.5756	4.2199	1.7883	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.700	C1	C2	O4	111.011
C2	C1	H6	109.237	C2	C1	H7	109.617
C2	C1	H8	109.617	C2	O4	C5	115.185
O3	C2	O4	123.289	O4	C5	H9	105.237
O4	C5	H10	110.321	O4	C5	H11	110.321
H6	C1	H7	110.223	H6	C1	H8	110.223
H7	C1	H8	107.908	H9	C5	H10	110.751
H9	C5	H11	110.751	H10	C5	H11	109.406

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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