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	hartrees
Energy at 0K	-268.382715
Energy at 298.15K	-268.389253
Nuclear repulsion energy	179.403606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3078	3066	24.91
2	A	3077	3065	3.45
3	A	3036	3024	27.66
4	A	3034	3022	8.75
5	A	2976	2964	6.01
6	A	2971	2960	28.03
7	A	1733	1726	213.09
8	A	1461	1455	8.13
9	A	1443	1438	14.65
10	A	1442	1436	2.91
11	A	1439	1433	14.79
12	A	1424	1419	8.42
13	A	1354	1349	30.14
14	A	1191	1186	287.65
15	A	1166	1162	2.37
16	A	1131	1127	0.64
17	A	1031	1027	7.35
18	A	1008	1004	94.88
19	A	941	937	3.49
20	A	809	806	22.54
21	A	620	618	3.46
22	A	582	580	4.27
23	A	409	408	5.38
24	A	272	271	10.97
25	A	176	175	6.68
26	A	105	104	0.31
27	A	42	42	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.814	-0.528	0.003
C2	0.469	0.183	-0.009
O3	0.297	1.387	-0.001
O4	-0.555	-0.732	-0.012
C5	-1.897	-0.159	0.008
H6	2.606	0.194	-0.222
H7	1.992	-0.959	0.999
H8	1.826	-1.351	-0.722
H9	-2.575	-1.018	0.004
H10	-2.043	0.449	0.910
H11	-2.060	0.470	-0.877

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5208	2.4425	2.3784	3.7291	1.0946	1.0999	1.0975	4.4161	4.0809	4.0957
C2	1.5208		1.2164	1.3735	2.3909	2.1472	2.1538	2.1686	3.2724	2.6884	2.6891
O3	2.4425	1.2164		2.2838	2.6842	2.6081	3.0622	3.2179	3.7460	2.6807	2.6764
O4	2.3784	1.3735	2.2838		1.4585	3.3008	2.7503	2.5615	2.0395	2.1112	2.1105
C5	3.7291	2.3909	2.6842	1.4585		4.5224	4.0922	3.9769	1.0940	1.0979	1.0978
H6	1.0946	2.1472	2.6081	3.3008	4.5224		1.7883	1.8011	5.3253	4.7917	4.7193
H7	1.0999	2.1538	3.0622	2.7503	4.0922	1.7883		1.7730	4.6742	4.2749	4.6880
H8	1.0975	2.1686	3.2179	2.5615	3.9769	1.8011	1.7730		4.4730	4.5692	4.2943
H9	4.4161	3.2724	3.7460	2.0395	1.0940	5.3253	4.6742	4.4730		1.8044	1.8044
H10	4.0809	2.6884	2.6807	2.1112	1.0979	4.7917	4.2749	4.5692	1.8044		1.7869
H11	4.0957	2.6891	2.6764	2.1105	1.0978	4.7193	4.6880	4.2943	1.8044	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.970	C1	C2	O4	110.416
C2	C1	H6	109.283	C2	C1	H7	109.487
C2	C1	H8	110.805	C2	O4	C5	115.150
O3	C2	O4	123.608	O4	C5	H9	105.176
O4	C5	H10	110.564	O4	C5	H11	110.505
H6	C1	H7	109.148	H6	C1	H8	110.504
H7	C1	H8	107.579	H9	C5	H10	110.811
H9	C5	H11	110.817	H10	C5	H11	108.941

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

using model chemistry: BLYP/6-311G**

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	-0.279
2	C	0.268
3	O	-0.312
4	O	-0.297
5	C	-0.115
6	H	0.129
7	H	0.130
8	H	0.126
9	H	0.115
10	H	0.117
11	H	0.118

	x	y	z	Total
	-0.409	-1.646	0.064	1.698
CHELPG
AIM
ESP

	x	y	z
x	7.707	-0.045	0.013
y	-0.045	6.202	-0.010
z	0.013	-0.010	4.716

<r²>	122.638
(<r²>)^1/2	11.074

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

using model chemistry: BLYP/6-311G**

States and conformations

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