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	hartrees
Energy at 0K	-267.612238
Energy at 298.15K	-267.619154
HF Energy	-266.834868
Nuclear repulsion energy	181.813740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3043	6.21
2	A'	3241	3041	14.19
3	A'	3129	2936	23.92
4	A'	3127	2934	0.60
5	A'	1916	1798	232.39
6	A'	1560	1463	7.18
7	A'	1537	1442	20.46
8	A'	1531	1436	16.62
9	A'	1465	1374	83.10
10	A'	1356	1273	328.91
11	A'	1252	1175	1.92
12	A'	1137	1067	58.16
13	A'	1032	968	2.08
14	A'	900	845	18.69
15	A'	667	626	9.45
16	A'	437	410	6.83
17	A'	297	279	13.03
18	A"	3213	3015	19.95
19	A"	3202	3005	4.06
20	A"	1549	1453	6.35
21	A"	1534	1439	8.27
22	A"	1216	1141	1.57
23	A"	1107	1039	8.09
24	A"	621	582	8.17
25	A"	183	172	6.92
26	A"	160	150	1.13
27	A"	86	81	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	1.124	1.471	0.000
C2	0.000	0.490	0.000
O3	-1.178	0.760	0.000
O4	0.485	-0.771	0.000
C5	-0.520	-1.780	0.000
H6	0.719	2.483	0.000
H7	1.750	1.322	0.884
H8	1.750	1.322	-0.884
H9	0.004	-2.735	0.000
H10	-1.151	-1.694	0.887
H11	-1.151	-1.694	-0.887

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4924	2.4095	2.3324	3.6435	1.0896	1.0929	1.0929	4.3532	3.9987	3.9987
C2	1.4924		1.2081	1.3514	2.3288	2.1182	2.1296	2.1296	3.2253	2.6240	2.6240
O3	2.4095	1.2081		2.2599	2.6232	2.5622	3.1093	3.1093	3.6893	2.6097	2.6097
O4	2.3324	1.3514	2.2599		1.4234	3.2626	2.6009	2.6009	2.0216	2.0774	2.0774
C5	3.6435	2.3288	2.6232	1.4234		4.4389	3.9440	3.9440	1.0899	1.0922	1.0922
H6	1.0896	2.1182	2.5622	3.2626	4.4389		1.7865	1.7865	5.2665	4.6618	4.6618
H7	1.0929	2.1296	3.1093	2.6009	3.9440	1.7865		1.7673	4.5043	4.1853	4.5445
H8	1.0929	2.1296	3.1093	2.6009	3.9440	1.7865	1.7673		4.5043	4.5445	4.1853
H9	4.3532	3.2253	3.6893	2.0216	1.0899	5.2665	4.5043	4.5043		1.7906	1.7906
H10	3.9987	2.6240	2.6097	2.0774	1.0922	4.6618	4.1853	4.5445	1.7906		1.7743
H11	3.9987	2.6240	2.6097	2.0774	1.0922	4.6618	4.5445	4.1853	1.7906	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.993	C1	C2	O4	110.106
C2	C1	H6	109.252	C2	C1	H7	109.956
C2	C1	H8	109.956	C2	O4	C5	114.097
O3	C2	O4	123.901	O4	C5	H9	106.335
O4	C5	H10	110.646	O4	C5	H11	110.646
H6	C1	H7	109.878	H6	C1	H8	109.878
H7	C1	H8	107.907	H9	C5	H10	110.288
H9	C5	H11	110.288	H10	C5	H11	108.634

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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