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	hartrees
Energy at 0K	-268.320114
Energy at 298.15K	-268.326640
Nuclear repulsion energy	179.651899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3091	3074	8.64
2	A	3079	3063	16.86
3	A	3043	3027	23.63
4	A	3041	3025	5.92
5	A	2983	2966	4.65
6	A	2975	2958	28.00
7	A	1749	1739	185.72
8	A	1458	1450	7.01
9	A	1441	1433	9.09
10	A	1440	1432	1.29
11	A	1435	1427	13.06
12	A	1427	1419	5.92
13	A	1351	1344	20.83
14	A	1201	1194	277.21
15	A	1170	1164	2.18
16	A	1139	1133	0.98
17	A	1030	1024	5.45
18	A	1018	1013	88.33
19	A	946	940	0.88
20	A	814	809	16.77
21	A	618	615	3.61
22	A	585	582	3.90
23	A	406	404	5.63
24	A	271	269	10.17
25	A	176	175	5.25
26	A	111	111	0.25
27	A	34	34	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.812	-0.523	0.000
C2	-0.466	0.185	-0.001
O3	-0.287	1.389	-0.000
O4	0.551	-0.734	-0.002
C5	1.886	-0.164	0.001
H6	-2.615	0.222	-0.028
H7	-1.892	-1.195	-0.867
H8	-1.913	-1.145	0.903
H9	2.571	-1.021	0.003
H10	2.045	0.458	-0.892
H11	2.041	0.458	0.895

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5215	2.4453	2.3729	3.7157	1.0959	1.1005	1.1008	4.4108	4.0784	4.0756
C2	1.5215		1.2165	1.3709	2.3775	2.1499	2.1657	2.1637	3.2670	2.6776	2.6759
O3	2.4453	1.2165		2.2825	2.6712	2.6036	3.1626	3.1426	3.7383	2.6649	2.6624
O4	2.3729	1.3709	2.2825		1.4515	3.3078	2.6327	2.6569	2.0395	2.1080	2.1083
C5	3.7157	2.3775	2.6712	1.4515		4.5178	4.0113	4.0258	1.0969	1.1000	1.1000
H6	1.0959	2.1499	2.6036	3.3078	4.5178		1.7990	1.7972	5.3326	4.7449	4.7526
H7	1.1005	2.1657	3.1626	2.6327	4.0113	1.7990		1.7714	4.5498	4.2694	4.6160
H8	1.1008	2.1637	3.1426	2.6569	4.0258	1.7972	1.7714		4.5744	4.6317	4.2664
H9	4.4108	3.2670	3.7383	2.0395	1.0969	5.3326	4.5498	4.5744		1.8070	1.8068
H10	4.0784	2.6776	2.6649	2.1080	1.1000	4.7449	4.2694	4.6317	1.8070		1.7873
H11	4.0756	2.6759	2.6624	2.1083	1.1000	4.7526	4.6160	4.2664	1.8068	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.167	C1	C2	O4	110.134
C2	C1	H6	109.369	C2	C1	H7	110.339
C2	C1	H8	110.164	C2	O4	C5	114.750
O3	C2	O4	123.699	O4	C5	H9	105.471
O4	C5	H10	110.666	O4	C5	H11	110.691
H6	C1	H7	109.976	H6	C1	H8	109.796
H7	C1	H8	107.171	H9	C5	H10	110.676
H9	C5	H11	110.664	H10	C5	H11	108.664

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.444
2	C	0.387
3	O	-0.315
4	O	-0.177
5	C	-0.219
6	H	0.131
7	H	0.134
8	H	0.135
9	H	0.115
10	H	0.127
11	H	0.127

	x	y	z	Total
	0.325	-1.656	0.008	1.688
CHELPG
AIM
ESP

<r²>	121.838
(<r²>)^1/2	11.038

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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