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	hartrees
Energy at 0K	-265.809501
Energy at 298.15K	-265.816337
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3027	6.49
2	A'	3253	3027	15.24
3	A'	3154	2935	0.40
4	A'	3149	2930	19.43
5	A'	1857	1728	158.02
6	A'	1625	1512	7.19
7	A'	1589	1479	18.44
8	A'	1559	1451	5.23
9	A'	1505	1400	29.91
10	A'	1319	1228	382.33
11	A'	1245	1159	4.81
12	A'	1130	1051	71.24
13	A'	1019	948	2.89
14	A'	853	794	17.95
15	A'	657	611	9.31
16	A'	419	390	6.92
17	A'	277	258	14.53
18	A"	3216	2993	4.96
19	A"	3214	2990	23.96
20	A"	1609	1498	6.49
21	A"	1597	1486	8.50
22	A"	1222	1138	0.90
23	A"	1152	1072	11.85
24	A"	619	576	9.94
25	A"	174	162	11.55
26	A"	119	111	0.20
27	A"	108	100	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.149	1.498	0.000
C2	0.000	0.516	0.000
O3	-1.191	0.770	0.000
O4	0.482	-0.771	0.000
C5	-0.535	-1.830	0.000
H6	0.755	2.510	0.000
H7	1.767	1.331	0.882
H8	1.767	1.331	-0.882
H9	0.028	-2.758	0.000
H10	-1.165	-1.758	0.886
H11	-1.165	-1.758	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5115	2.4507	2.3655	3.7301	1.0864	1.0901	1.0901	4.4009	4.0913	4.0913
C2	1.5115		1.2178	1.3749	2.4066	2.1321	2.1368	2.1368	3.2739	2.7040	2.7040
O3	2.4507	1.2178		2.2750	2.6818	2.6101	3.1374	3.1374	3.7326	2.6789	2.6789
O4	2.3655	1.3749	2.2750		1.4683	3.2930	2.6176	2.6176	2.0374	2.1139	2.1139
C5	3.7301	2.4066	2.6818	1.4683		4.5280	4.0093	4.0093	1.0852	1.0888	1.0888
H6	1.0864	2.1321	2.6101	3.2930	4.5280		1.7871	1.7871	5.3178	4.7628	4.7628
H7	1.0901	2.1368	3.1374	2.6176	4.0093	1.7871		1.7650	4.5302	4.2588	4.6113
H8	1.0901	2.1368	3.1374	2.6176	4.0093	1.7871	1.7650		4.5302	4.6113	4.2588
H9	4.4009	3.2739	3.7326	2.0374	1.0852	5.3178	4.5302	4.5302		1.7905	1.7905
H10	4.0913	2.7040	2.6789	2.1139	1.0888	4.7628	4.2588	4.6113	1.7905		1.7713
H11	4.0913	2.7040	2.6789	2.1139	1.0888	4.7628	4.6113	4.2588	1.7905	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.446	C1	C2	O4	109.984
C2	C1	H6	109.212	C2	C1	H7	109.368
C2	C1	H8	109.368	C2	O4	C5	115.616
O3	C2	O4	122.570	O4	C5	H9	104.869
O4	C5	H10	110.645	O4	C5	H11	110.645
H6	C1	H7	110.384	H6	C1	H8	110.384
H7	C1	H8	108.102	H9	C5	H10	110.898
H9	C5	H11	110.898	H10	C5	H11	108.859

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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