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	hartrees
Energy at 0K	-268.387642
Energy at 298.15K	-268.394354
Nuclear repulsion energy	181.654997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3052	5.24
2	A'	3161	3039	13.77
3	A'	3060	2943	2.73
4	A'	3053	2936	27.59
5	A'	1823	1753	249.18
6	A'	1494	1437	8.81
7	A'	1469	1413	26.80
8	A'	1463	1406	12.79
9	A'	1389	1336	63.13
10	A'	1277	1228	318.11
11	A'	1207	1161	1.01
12	A'	1085	1043	65.64
13	A'	989	951	1.49
14	A'	867	833	18.34
15	A'	648	623	5.57
16	A'	423	407	5.89
17	A'	282	271	12.22
18	A"	3128	3008	19.97
19	A"	3126	3006	3.44
20	A"	1478	1421	10.09
21	A"	1469	1413	6.84
22	A"	1174	1129	0.93
23	A"	1062	1021	7.21
24	A"	610	587	4.61
25	A"	180	173	6.26
26	A"	127	122	0.35
27	A"	40	39	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.122	1.488	0.000
C2	0.000	0.491	0.000
O3	-1.173	0.756	0.000
O4	0.475	-0.768	0.000
C5	-0.517	-1.796	0.000
H6	0.713	2.494	0.000
H7	1.752	1.341	0.878
H8	1.752	1.341	-0.878
H9	0.030	-2.736	0.000
H10	-1.147	-1.722	0.886
H11	-1.147	-1.722	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5012	2.4096	2.3474	3.6705	1.0861	1.0908	1.0908	4.3628	4.0303	4.0303
C2	1.5012		1.2030	1.3462	2.3448	2.1264	2.1358	2.1358	3.2269	2.6459	2.6459
O3	2.4096	1.2030		2.2455	2.6351	2.5655	3.1097	3.1097	3.6931	2.6319	2.6319
O4	2.3474	1.3462	2.2455		1.4285	3.2713	2.6167	2.6167	2.0172	2.0805	2.0805
C5	3.6705	2.3448	2.6351	1.4285		4.4632	3.9692	3.9692	1.0870	1.0900	1.0900
H6	1.0861	2.1264	2.5655	3.2713	4.4632		1.7837	1.7837	5.2744	4.6933	4.6933
H7	1.0908	2.1358	3.1097	2.6167	3.9692	1.7837		1.7568	4.5112	4.2172	4.5714
H8	1.0908	2.1358	3.1097	2.6167	3.9692	1.7837	1.7568		4.5112	4.5714	4.2172
H9	4.3628	3.2269	3.6931	2.0172	1.0870	5.2744	4.5112	4.5112		1.7882	1.7882
H10	4.0303	2.6459	2.6319	2.0805	1.0900	4.6933	4.2172	4.5714	1.7882		1.7719
H11	4.0303	2.6459	2.6319	2.0805	1.0900	4.6933	4.5714	4.2172	1.7882	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.662	C1	C2	O4	110.940
C2	C1	H6	109.504	C2	C1	H7	109.965
C2	C1	H8	109.965	C2	O4	C5	115.328
O3	C2	O4	123.398	O4	C5	H9	105.825
O4	C5	H10	110.682	O4	C5	H11	110.682
H6	C1	H7	110.050	H6	C1	H8	110.050
H7	C1	H8	107.280	H9	C5	H10	110.452
H9	C5	H11	110.452	H10	C5	H11	108.738

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.257
2	C	0.288
3	O	-0.316
4	O	-0.224
5	C	-0.087
6	H	0.112
7	H	0.104
8	H	0.104
9	H	0.098
10	H	0.089
11	H	0.089

<r²>	117.917
(<r²>)^1/2	10.859

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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