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	hartrees
Energy at 0K	-268.316802
Energy at 298.15K	-268.323551
Nuclear repulsion energy	181.483226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3055	5.60
2	A'	3213	3047	15.81
3	A'	3100	2940	7.54
4	A'	3099	2939	21.86
5	A'	1874	1777	234.70
6	A'	1531	1452	8.81
7	A'	1505	1427	24.37
8	A'	1500	1423	12.76
9	A'	1427	1353	73.89
10	A'	1319	1250	321.52
11	A'	1228	1164	1.09
12	A'	1114	1057	55.99
13	A'	1009	957	1.39
14	A'	886	840	16.04
15	A'	656	622	6.62
16	A'	425	403	6.42
17	A'	286	271	12.68
18	A"	3181	3016	20.78
19	A"	3173	3009	4.01
20	A"	1519	1440	7.96
21	A"	1507	1429	8.28
22	A"	1194	1132	0.81
23	A"	1080	1024	9.64
24	A"	612	580	5.87
25	A"	184	174	6.86
26	A"	132	126	0.21
27	A"	53	50	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.124	1.488	0.000
C2	0.000	0.489	0.000
O3	-1.178	0.751	0.000
O4	0.478	-0.769	0.000
C5	-0.516	-1.790	0.000
H6	0.712	2.496	0.000
H7	1.755	1.343	0.880
H8	1.755	1.343	-0.880
H9	0.029	-2.733	0.000
H10	-1.148	-1.714	0.888
H11	-1.148	-1.714	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5037	2.4167	2.3477	3.6659	1.0887	1.0931	1.0931	4.3611	4.0252	4.0252
C2	1.5037		1.2069	1.3458	2.3371	2.1300	2.1410	2.1410	3.2222	2.6379	2.6379
O3	2.4167	1.2069		2.2482	2.6265	2.5726	3.1187	3.1187	3.6875	2.6205	2.6205
O4	2.3477	1.3458	2.2482		1.4256	3.2737	2.6202	2.6202	2.0149	2.0796	2.0796
C5	3.6659	2.3371	2.6265	1.4256		4.4593	3.9687	3.9687	1.0890	1.0920	1.0920
H6	1.0887	2.1300	2.5726	3.2737	4.4593		1.7867	1.7867	5.2739	4.6877	4.6877
H7	1.0931	2.1410	3.1187	2.6202	3.9687	1.7867		1.7610	4.5132	4.2155	4.5712
H8	1.0931	2.1410	3.1187	2.6202	3.9687	1.7867	1.7610		4.5132	4.5712	4.2155
H9	4.3611	3.2222	3.6875	2.0149	1.0890	5.2739	4.5132	4.5132		1.7918	1.7918
H10	4.0252	2.6379	2.6205	2.0796	1.0920	4.6877	4.2155	4.5712	1.7918		1.7751
H11	4.0252	2.6379	2.6205	2.0796	1.0920	4.6877	4.5712	4.2155	1.7918	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.791	C1	C2	O4	110.838
C2	C1	H6	109.456	C2	C1	H7	110.066
C2	C1	H8	110.066	C2	O4	C5	114.954
O3	C2	O4	123.370	O4	C5	H9	105.734
O4	C5	H10	110.691	O4	C5	H11	110.691
H6	C1	H7	109.955	H6	C1	H8	109.955
H7	C1	H8	107.318	H9	C5	H10	110.486
H9	C5	H11	110.486	H10	C5	H11	108.743

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

using model chemistry: mPW1PW91/6-31G*

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	-0.605
2	C	0.611
3	O	-0.475
4	O	-0.448
5	C	-0.287
6	H	0.211
7	H	0.209
8	H	0.209
9	H	0.188
10	H	0.193
11	H	0.193

	x	y	z	Total
	1.525	-0.952	0.000	1.797
CHELPG
AIM
ESP

<r²>	117.814
(<r²>)^1/2	10.854

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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