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	hartrees
Energy at 0K	-268.323286
Energy at 298.15K	-268.329823
Nuclear repulsion energy	178.383349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3095	3079	17.84
2	A	3094	3077	3.66
3	A	3062	3045	20.95
4	A	3047	3031	7.00
5	A	2987	2971	35.37
6	A	2985	2969	1.48
7	A	1715	1706	253.29
8	A	1460	1452	8.87
9	A	1447	1440	14.50
10	A	1446	1438	3.54
11	A	1440	1433	16.77
12	A	1425	1417	7.55
13	A	1360	1353	27.38
14	A	1200	1194	307.33
15	A	1166	1160	0.77
16	A	1132	1126	0.71
17	A	1031	1025	7.03
18	A	1013	1008	86.30
19	A	943	938	4.45
20	A	808	803	23.56
21	A	615	612	3.47
22	A	581	578	4.35
23	A	409	406	4.98
24	A	269	267	12.49
25	A	178	177	7.78
26	A	122	122	0.51
27	A	36	36	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.817	-0.531	0.003
C2	-0.472	0.178	-0.008
O3	-0.302	1.393	-0.001
O4	0.560	-0.730	-0.011
C5	1.904	-0.159	0.007
H6	-2.614	0.197	-0.193
H7	-1.842	-1.337	-0.746
H8	-1.983	-0.992	0.991
H9	2.580	-1.022	-0.000
H10	2.063	0.472	-0.880
H11	2.050	0.446	0.914

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5205	2.4491	2.3853	3.7403	1.0970	1.1004	1.1026	4.4252	4.1041	4.0915
C2	1.5205		1.2268	1.3750	2.4006	2.1495	2.1714	2.1560	3.2804	2.6973	2.6989
O3	2.4491	1.2268		2.2917	2.6975	2.6098	3.2215	3.0817	3.7606	2.6862	2.6955
O4	2.3853	1.3750	2.2917		1.4613	3.3113	2.5833	2.7452	2.0418	2.1120	2.1122
C5	3.7403	2.4006	2.6975	1.4613		4.5366	3.9984	4.0954	1.0966	1.0997	1.0998
H6	1.0970	2.1495	2.6098	3.3113	4.5366		1.8044	1.7928	5.3391	4.7352	4.7999
H7	1.1004	2.1714	3.2215	2.5833	3.9984	1.8044		1.7761	4.4956	4.3056	4.5911
H8	1.1026	2.1560	3.0817	2.7452	4.0954	1.7928	1.7761		4.6697	4.6917	4.2822
H9	4.4252	3.2804	3.7606	2.0418	1.0966	5.3391	4.4956	4.6697		1.8092	1.8091
H10	4.1041	2.6973	2.6862	2.1120	1.0997	4.7352	4.3056	4.6917	1.8092		1.7940
H11	4.0915	2.6989	2.6955	2.1122	1.0998	4.7999	4.5911	4.2822	1.8091	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.778	C1	C2	O4	110.835
C2	C1	H6	109.350	C2	C1	H7	110.872
C2	C1	H8	109.527	C2	O4	C5	115.601
O3	C2	O4	123.383	O4	C5	H9	105.027
O4	C5	H10	110.317	O4	C5	H11	110.321
H6	C1	H7	110.404	H6	C1	H8	109.193
H7	C1	H8	107.459	H9	C5	H10	110.921
H9	C5	H11	110.901	H10	C5	H11	109.301

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.535
2	C	0.458
3	O	-0.448
4	O	-0.277
5	C	-0.201
6	H	0.177
7	H	0.175
8	H	0.179
9	H	0.147
10	H	0.162
11	H	0.162

	x	y	z	Total
	0.419	-1.848	0.049	1.896
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	122.363
(<r²>)^1/2	11.062

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

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

States and conformations

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