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	hartrees
Energy at 0K	-268.310064
Energy at 298.15K	-268.316526
Nuclear repulsion energy	179.051865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	3094	7.53
2	A'	3076	3081	16.97
3	A'	2973	2978	4.76
4	A'	2962	2966	31.69
5	A'	1743	1746	196.87
6	A'	1428	1430	7.33
7	A'	1404	1406	15.15
8	A'	1400	1402	7.39
9	A'	1329	1332	31.48
10	A'	1196	1198	286.13
11	A'	1151	1153	5.95
12	A'	1011	1013	88.46
13	A'	939	940	0.98
14	A'	811	812	19.51
15	A'	617	618	3.99
16	A'	406	407	5.48
17	A'	272	272	9.67
18	A"	3035	3040	8.36
19	A"	3033	3038	24.08
20	A"	1406	1408	12.24
21	A"	1405	1407	0.14
22	A"	1117	1119	0.69
23	A"	1014	1016	5.45
24	A"	577	578	3.32
25	A"	174	175	5.33
26	A"	110	111	0.26
27	A"	12	12	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	1.152	1.498	0.000
C2	0.000	0.504	0.000
O3	-1.190	0.779	0.000
O4	0.483	-0.785	0.000
C5	-0.540	-1.819	0.000
H6	0.752	2.526	0.000
H7	1.792	1.340	0.891
H8	1.792	1.340	-0.891
H9	0.011	-2.776	0.000
H10	-1.182	-1.737	0.899
H11	-1.182	-1.737	-0.899

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5218	2.4506	2.3792	3.7234	1.1033	1.1084	1.1084	4.4237	4.0896	4.0896
C2	1.5218		1.2215	1.3768	2.3846	2.1572	2.1691	2.1691	3.2798	2.6886	2.6886
O3	2.4506	1.2215		2.2904	2.6775	2.6124	3.1630	3.1630	3.7518	2.6715	2.6715
O4	2.3792	1.3768	2.2904		1.4542	3.3220	2.6502	2.6502	2.0460	2.1186	2.1186
C5	3.7234	2.3846	2.6775	1.4542		4.5325	4.0260	4.0260	1.1042	1.1082	1.1082
H6	1.1033	2.1572	2.6124	3.3220	4.5325		1.8121	1.8121	5.3533	4.7667	4.7667
H7	1.1084	2.1691	3.1630	2.6502	4.0260	1.8121		1.7823	4.5724	4.2796	4.6390
H8	1.1084	2.1691	3.1630	2.6502	4.0260	1.8121	1.7823		4.5724	4.6390	4.2796
H9	4.4237	3.2798	3.7518	2.0460	1.1042	5.3533	4.5724	4.5724		1.8197	1.8197
H10	4.0896	2.6886	2.6715	2.1186	1.1082	4.7667	4.2796	4.6390	1.8197		1.7985
H11	4.0896	2.6886	2.6715	2.1186	1.1082	4.7667	4.6390	4.2796	1.8197	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.228	C1	C2	O4	110.234
C2	C1	H6	109.486	C2	C1	H7	110.115
C2	C1	H8	110.115	C2	O4	C5	114.744
O3	C2	O4	123.538	O4	C5	H9	105.385
O4	C5	H10	110.823	O4	C5	H11	110.823
H6	C1	H7	110.037	H6	C1	H8	110.037
H7	C1	H8	107.023	H9	C5	H10	110.669
H9	C5	H11	110.669	H10	C5	H11	108.474

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

using model chemistry: BLYP/cc-pVDZ

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	0.046
2	C	0.084
3	O	-0.214
4	O	-0.233
5	C	0.140
6	H	0.028
7	H	0.038
8	H	0.038
9	H	0.019
10	H	0.026
11	H	0.026

	x	y	z	Total
	1.381	-0.912	0.000	1.655
CHELPG
AIM
ESP

	x	y	z
x	6.252	0.589	0.000
y	0.589	7.359	0.000
z	0.000	0.000	4.525

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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