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	hartrees
Energy at 0K	-264.752860
Energy at 298.15K	-264.758885
Nuclear repulsion energy	173.703749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3386	3133	0.22
2	A	3363	3111	0.23
3	A	3347	3097	0.90
4	A	3301	3054	5.62
5	A	3206	2966	0.42
6	A	3152	2916	7.24
7	A	1787	1653	53.76
8	A	1616	1495	7.76
9	A	1613	1493	4.95
10	A	1604	1484	6.41
11	A	1587	1468	3.45
12	A	1505	1393	5.49
13	A	1481	1370	1.83
14	A	1208	1118	161.95
15	A	1175	1087	1.94
16	A	1125	1041	0.18
17	A	1065	985	15.97
18	A	1061	982	12.95
19	A	980	906	15.53
20	A	803	743	5.59
21	A	581	537	3.65
22	A	513	475	1.37
23	A	380	352	2.11
24	A	256	237	5.30
25	A	173	160	3.77
26	A	81	75	0.01
27	A	32	29	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.879	-0.516	0.003
C2	-0.477	0.209	-0.004
O3	-0.238	1.450	-0.001
O4	0.555	-0.824	-0.007
C5	1.912	-0.171	0.005
H6	-2.674	0.220	-0.226
H7	-1.898	-1.329	-0.751
H8	-2.074	-0.959	1.002
H9	2.648	-1.006	-0.001
H10	2.066	0.473	-0.895
H11	2.059	0.454	0.919

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5774	2.5607	2.4532	3.8061	1.1079	1.1090	1.1103	4.5532	4.1642	4.1577
C2	1.5774		1.2643	1.4608	2.4194	2.2082	2.2229	2.2194	3.3535	2.7074	2.7107
O3	2.5607	1.2643		2.4089	2.6926	2.7388	3.3232	3.1908	3.7898	2.6570	2.6676
O4	2.4532	1.4608	2.4089		1.5059	3.4014	2.6130	2.8196	2.1009	2.1800	2.1804
C5	3.8061	2.4194	2.6926	1.5059		4.6089	4.0535	4.1838	1.1132	1.1170	1.1170
H6	1.1079	2.2082	2.7388	3.4014	4.6089		1.8104	1.8050	5.4667	4.7938	4.8759
H7	1.1090	2.2229	3.3232	2.6130	4.0535	1.8104		1.8002	4.6193	4.3568	4.6509
H8	1.1103	2.2194	3.1908	2.8196	4.1838	1.8050	1.8002		4.8281	4.7734	4.3690
H9	4.5532	3.3535	3.7898	2.1009	1.1132	5.4667	4.6193	4.8281		1.8234	1.8233
H10	4.1642	2.7074	2.6570	2.1800	1.1170	4.7938	4.3568	4.7734	1.8234		1.8136
H11	4.1577	2.7107	2.6676	2.1804	1.1170	4.8759	4.6509	4.3690	1.8233	1.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.272	C1	C2	O4	107.633
C2	C1	H6	109.388	C2	C1	H7	110.464
C2	C1	H8	110.115	C2	O4	C5	109.269
O3	C2	O4	124.094	O4	C5	H9	105.694
O4	C5	H10	111.578	O4	C5	H11	111.601
H6	C1	H7	109.502	H6	C1	H8	108.921
H7	C1	H8	108.422	H9	C5	H10	109.693
H9	C5	H11	109.684	H10	C5	H11	108.553

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

using model chemistry: BLYP/STO-3G

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	-0.232
2	C	0.178
3	O	-0.195
4	O	-0.142
5	C	-0.132
6	H	0.088
7	H	0.088
8	H	0.088
9	H	0.087
10	H	0.086
11	H	0.086

	x	y	z	Total
	0.328	-0.873	0.024	0.933
CHELPG
AIM
ESP

	x	y	z
x	4.744	-0.137	-0.012
y	-0.137	3.465	-0.008
z	-0.012	-0.008	2.040

<r²>	126.665
(<r²>)^1/2	11.255

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

using model chemistry: BLYP/STO-3G

States and conformations

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