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	hartrees
Energy at 0K	-265.869118
Energy at 298.15K	-265.875811
HF Energy	-265.341822
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3075	14.48
2	A'	3215	3070	5.77
3	A'	3115	2974	1.61
4	A'	3105	2965	18.38
5	A'	1727	1649	90.99
6	A'	1603	1531	6.88
7	A'	1573	1502	20.20
8	A'	1523	1454	4.15
9	A'	1474	1407	23.68
10	A'	1257	1201	306.68
11	A'	1204	1150	11.28
12	A'	1078	1029	98.62
13	A'	974	930	2.50
14	A'	806	770	20.10
15	A'	633	604	5.65
16	A'	408	390	5.68
17	A'	270	258	12.55
18	A"	3186	3042	4.06
19	A"	3176	3033	23.94
20	A"	1588	1516	6.20
21	A"	1582	1510	7.82
22	A"	1190	1136	0.35
23	A"	1125	1074	7.87
24	A"	596	569	5.52
25	A"	174	166	10.06
26	A"	102	97	0.84
27	A"	91	86	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.154	1.509	0.000
C2	0.000	0.521	0.000
O3	-1.213	0.767	0.000
O4	0.508	-0.780	0.000
C5	-0.541	-1.836	0.000
H6	0.750	2.522	0.000
H7	1.773	1.347	0.886
H8	1.773	1.347	-0.886
H9	0.017	-2.770	0.000
H10	-1.172	-1.754	0.888
H11	-1.172	-1.754	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5194	2.4805	2.3788	3.7498	1.0903	1.0931	1.0931	4.4277	4.1040	4.1040
C2	1.5194		1.2378	1.3961	2.4175	2.1377	2.1475	2.1475	3.2906	2.7080	2.7080
O3	2.4805	1.2378		2.3136	2.6877	2.6338	3.1683	3.1683	3.7444	2.6725	2.6725
O4	2.3788	1.3961	2.3136		1.4880	3.3111	2.6289	2.6289	2.0495	2.1346	2.1346
C5	3.7498	2.4175	2.6877	1.4880		4.5452	4.0336	4.0336	1.0884	1.0923	1.0923
H6	1.0903	2.1377	2.6338	3.3111	4.5452		1.7921	1.7921	5.3428	4.7713	4.7713
H7	1.0931	2.1475	3.1683	2.6289	4.0336	1.7921		1.7721	4.5628	4.2761	4.6296
H8	1.0931	2.1475	3.1683	2.6289	4.0336	1.7921	1.7721		4.5628	4.6296	4.2761
H9	4.4277	3.2906	3.7444	2.0495	1.0884	5.3428	4.5628	4.5628		1.7986	1.7986
H10	4.1040	2.7080	2.6725	2.1346	1.0923	4.7713	4.2761	4.6296	1.7986		1.7763
H11	4.1040	2.7080	2.6725	2.1346	1.0923	4.7713	4.6296	4.2761	1.7986	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.931	C1	C2	O4	109.281
C2	C1	H6	108.886	C2	C1	H7	109.487
C2	C1	H8	109.487	C2	O4	C5	113.871
O3	C2	O4	122.787	O4	C5	H9	104.335
O4	C5	H10	110.703	O4	C5	H11	110.703
H6	C1	H7	110.330	H6	C1	H8	110.330
H7	C1	H8	108.306	H9	C5	H10	111.133
H9	C5	H11	111.133	H10	C5	H11	108.803

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3COOCH3 (methyl acetate)

using model chemistry: MP2=FULL/3-21G

States and conformations

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