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	hartrees
Energy at 0K	-268.125878
Energy at 298.15K	-268.132573
HF Energy	-268.125878
Nuclear repulsion energy	181.827738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3066	4.10
2	A'	3203	3058	12.14
3	A'	3086	2947	3.31
4	A'	3081	2942	29.07
5	A'	1841	1758	288.49
6	A'	1500	1433	10.20
7	A'	1478	1411	34.94
8	A'	1470	1404	14.96
9	A'	1404	1340	87.02
10	A'	1303	1244	313.96
11	A'	1212	1157	0.77
12	A'	1101	1051	56.58
13	A'	998	952	1.33
14	A'	879	840	19.31
15	A'	652	622	6.15
16	A'	425	406	5.78
17	A'	285	272	13.72
18	A"	3167	3024	17.51
19	A"	3164	3021	2.87
20	A"	1487	1419	11.03
21	A"	1478	1411	9.82
22	A"	1178	1125	0.85
23	A"	1065	1017	7.54
24	A"	611	584	5.45
25	A"	185	176	7.91
26	A"	128	122	0.35
27	A"	29	27	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.113	1.498	0.000
C2	0.000	0.491	0.000
O3	-1.183	0.746	0.000
O4	0.481	-0.766	0.000
C5	-0.504	-1.800	0.000
H6	0.692	2.503	0.000
H7	1.745	1.357	0.881
H8	1.745	1.357	-0.881
H9	0.052	-2.737	0.000
H10	-1.136	-1.728	0.889
H11	-1.136	-1.728	-0.889

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5008	2.4154	2.3503	3.6731	1.0891	1.0936	1.0936	4.3655	4.0313	4.0313
C2	1.5008		1.2098	1.3457	2.3457	2.1274	2.1378	2.1378	3.2279	2.6463	2.6463
O3	2.4154	1.2098		2.2480	2.6345	2.5692	3.1176	3.1176	3.6948	2.6288	2.6288
O4	2.3503	1.3457	2.2480		1.4286	3.2753	2.6226	2.6226	2.0170	2.0809	2.0809
C5	3.6731	2.3457	2.6345	1.4286		4.4658	3.9748	3.9748	1.0894	1.0928	1.0928
H6	1.0891	2.1274	2.5692	3.2753	4.4658		1.7883	1.7883	5.2782	4.6933	4.6933
H7	1.0936	2.1378	3.1176	2.6226	3.9748	1.7883		1.7620	4.5163	4.2204	4.5765
H8	1.0936	2.1378	3.1176	2.6226	3.9748	1.7883	1.7620		4.5163	4.5765	4.2204
H9	4.3655	3.2279	3.6948	2.0170	1.0894	5.2782	4.5163	4.5163		1.7941	1.7941
H10	4.0313	2.6463	2.6288	2.0809	1.0928	4.6933	4.2204	4.5765	1.7941		1.7779
H11	4.0313	2.6463	2.6288	2.0809	1.0928	4.6933	4.5765	4.2204	1.7941	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.687	C1	C2	O4	111.198
C2	C1	H6	109.432	C2	C1	H7	109.987
C2	C1	H8	109.987	C2	O4	C5	115.421
O3	C2	O4	123.115	O4	C5	H9	105.665
O4	C5	H10	110.538	O4	C5	H11	110.538
H6	C1	H7	110.034	H6	C1	H8	110.034
H7	C1	H8	107.343	H9	C5	H10	110.601
H9	C5	H11	110.601	H10	C5	H11	108.879

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

using model chemistry: HSEh1PBE/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	-0.566
2	C	0.416
3	O	-0.457
4	O	-0.280
5	C	-0.235
6	H	0.200
7	H	0.199
8	H	0.199
9	H	0.167
10	H	0.179
11	H	0.179

	x	y	z	Total
	1.670	-0.993	0.000	1.943
CHELPG
AIM
ESP

	x	y	z
x	6.659	0.230	0.000
y	0.230	7.236	0.000
z	0.000	0.000	4.918

<r²>	119.699
(<r²>)^1/2	10.941

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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