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	hartrees
Energy at 0K	-268.302710
Energy at 298.15K
HF Energy	-268.302710
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3054	6.30
2	A'	3209	3044	17.64
3	A'	3099	2939	3.03
4	A'	3092	2933	27.34
5	A'	1881	1784	240.26
6	A'	1526	1447	12.17
7	A'	1509	1431	20.21
8	A'	1500	1422	10.32
9	A'	1429	1356	85.30
10	A'	1328	1260	327.04
11	A'	1234	1171	1.26
12	A'	1119	1061	53.52
13	A'	1010	958	1.59
14	A'	888	842	15.89
15	A'	656	622	6.98
16	A'	429	407	6.78
17	A'	291	276	12.67
18	A"	3174	3011	16.17
19	A"	3174	3010	11.25
20	A"	1523	1445	7.73
21	A"	1506	1429	8.57
22	A"	1191	1129	1.05
23	A"	1077	1021	9.67
24	A"	606	574	6.54
25	A"	180	170	6.14
26	A"	119	113	1.13
27	A"	110i	105i	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	1.465	0.000
C2	0.000	0.491	0.000
O3	-1.176	0.769	0.000
O4	0.474	-0.773	0.000
C5	-0.524	-1.780	0.000
H6	0.740	2.481	0.000
H7	1.762	1.314	0.883
H8	1.762	1.314	-0.883
H9	0.000	-2.737	0.000
H10	-1.157	-1.696	0.888
H11	-1.157	-1.696	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4953	2.4133	2.3333	3.6447	1.0902	1.0938	1.0938	4.3522	4.0042	4.0042
C2	1.4953		1.2082	1.3503	2.3312	2.1229	2.1359	2.1359	3.2282	2.6290	2.6290
O3	2.4133	1.2082		2.2585	2.6312	2.5693	3.1159	3.1159	3.6980	2.6202	2.6202
O4	2.3333	1.3503	2.2585		1.4184	3.2648	2.6065	2.6065	2.0203	2.0741	2.0741
C5	3.6447	2.3312	2.6312	1.4184		4.4448	3.9474	3.9474	1.0911	1.0936	1.0936
H6	1.0902	2.1229	2.5693	3.2648	4.4448		1.7852	1.7852	5.2700	4.6728	4.6728
H7	1.0938	2.1359	3.1159	2.6065	3.9474	1.7852		1.7669	4.5048	4.1931	4.5518
H8	1.0938	2.1359	3.1159	2.6065	3.9474	1.7852	1.7669		4.5048	4.5518	4.1931
H9	4.3522	3.2282	3.6980	2.0203	1.0911	5.2700	4.5048	4.5048		1.7921	1.7921
H10	4.0042	2.6290	2.6202	2.0741	1.0936	4.6728	4.1931	4.5518	1.7921		1.7758
H11	4.0042	2.6290	2.6202	2.0741	1.0936	4.6728	4.5518	4.1931	1.7921	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.089	C1	C2	O4	110.059
C2	C1	H6	109.382	C2	C1	H7	110.201
C2	C1	H8	110.201	C2	O4	C5	114.685
O3	C2	O4	123.853	O4	C5	H9	106.503
O4	C5	H10	110.656	O4	C5	H11	110.656
H6	C1	H7	109.649	H6	C1	H8	109.649
H7	C1	H8	107.739	H9	C5	H10	110.229
H9	C5	H11	110.229	H10	C5	H11	108.566

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

using model chemistry: wB97X-D/6-31G*

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	-0.585
2	C	0.608
3	O	-0.476
4	O	-0.450
5	C	-0.268
6	H	0.206
7	H	0.203
8	H	0.203
9	H	0.185
10	H	0.187
11	H	0.187

	x	y	z	Total
	1.540	-0.980	0.000	1.825
CHELPG
AIM
ESP

	x	y	z
x	5.709	0.236	0.000
y	0.236	6.370	0.000
z	0.000	0.000	4.233

<r²>	119.244
(<r²>)^1/2	10.920

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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