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	hartrees
Energy at 0K	-268.341557
Energy at 298.15K	-268.348313
Nuclear repulsion energy	182.420326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3062	4.86
2	A	3190	3045	14.15
3	A	3161	3018	3.83
4	A	3158	3015	17.56
5	A	3084	2945	2.21
6	A	3075	2936	26.24
7	A	1862	1778	225.02
8	A	1502	1434	7.14
9	A	1486	1419	8.30
10	A	1480	1413	31.75
11	A	1477	1410	6.47
12	A	1469	1402	11.06
13	A	1397	1334	74.47
14	A	1298	1240	295.42
15	A	1216	1161	1.21
16	A	1186	1132	1.03
17	A	1106	1055	54.67
18	A	1067	1019	8.30
19	A	996	951	1.85
20	A	880	840	14.57
21	A	654	624	6.39
22	A	615	587	4.84
23	A	423	403	6.50
24	A	285	272	11.82
25	A	183	175	5.76
26	A	127	121	0.30
27	A	59	56	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.791	-0.508	0.000
C2	-0.454	0.178	-0.001
O3	-0.273	1.365	-0.000
O4	0.542	-0.723	-0.001
C5	1.851	-0.165	0.001
H6	-2.581	0.239	-0.021
H7	-1.874	-1.169	-0.865
H8	-1.889	-1.130	0.893
H9	2.537	-1.010	0.002
H10	2.010	0.453	-0.885
H11	2.007	0.453	0.887

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5027	2.4113	2.3431	3.6581	1.0877	1.0919	1.0923	4.3570	4.0190	4.0170
C2	1.5027		1.2012	1.3427	2.3302	2.1284	2.1394	2.1376	3.2182	2.6318	2.6309
O3	2.4113	1.2012		2.2412	2.6174	2.5687	3.1199	3.1041	3.6794	2.6122	2.6109
O4	2.3431	1.3427	2.2412		1.4227	3.2683	2.6049	2.6228	2.0153	2.0777	2.0779
C5	3.6581	2.3302	2.6174	1.4227		4.4507	3.9542	3.9646	1.0889	1.0917	1.0918
H6	1.0877	2.1284	2.5687	3.2683	4.4507		1.7868	1.7854	5.2685	4.6763	4.6824
H7	1.0919	2.1394	3.1199	2.6049	3.9542	1.7868		1.7587	4.4985	4.2091	4.5570
H8	1.0923	2.1376	3.1041	2.6228	3.9646	1.7854	1.7587		4.5168	4.5683	4.2056
H9	4.3570	3.2182	3.6794	2.0153	1.0889	5.2685	4.4985	4.5168		1.7909	1.7908
H10	4.0190	2.6318	2.6122	2.0777	1.0917	4.6763	4.2091	4.5683	1.7909		1.7723
H11	4.0170	2.6309	2.6109	2.0779	1.0918	4.6824	4.5570	4.2056	1.7908	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.827	C1	C2	O4	110.742
C2	C1	H6	109.456	C2	C1	H7	110.080
C2	C1	H8	109.911	C2	O4	C5	114.807
O3	C2	O4	123.431	O4	C5	H9	105.957
O4	C5	H10	110.761	O4	C5	H11	110.768
H6	C1	H7	110.132	H6	C1	H8	109.972
H7	C1	H8	107.264	H9	C5	H10	110.426
H9	C5	H11	110.406	H10	C5	H11	108.524

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

using model chemistry: mPW1PW91/6-31G(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	-0.546
2	C	0.459
3	O	-0.373
4	O	-0.259
5	C	-0.292
6	H	0.176
7	H	0.176
8	H	0.176
9	H	0.156
10	H	0.163
11	H	0.163

	x	y	z	Total
	0.278	-1.750	0.006	1.772
CHELPG
AIM
ESP

	x	y	z
x	7.001	-0.005	-0.002
y	-0.005	5.790	-0.002
z	-0.002	-0.002	4.522

<r²>	118.451
(<r²>)^1/2	10.884

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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