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	hartrees
Energy at 0K	-268.227199
Energy at 298.15K
HF Energy	-268.227199
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3071	11.15
2	A'	3125	3064	21.31
3	A'	3015	2956	10.97
4	A'	3013	2954	28.06
5	A'	1786	1751	203.31
6	A'	1496	1466	7.49
7	A'	1474	1445	14.30
8	A'	1459	1430	6.98
9	A'	1387	1359	32.26
10	A'	1238	1214	308.53
11	A'	1191	1167	1.26
12	A'	1047	1026	84.45
13	A'	969	950	1.17
14	A'	834	818	17.41
15	A'	629	617	3.99
16	A'	415	407	5.88
17	A'	277	272	11.33
18	A"	3091	3030	28.83
19	A"	3082	3022	8.68
20	A"	1483	1454	6.57
21	A"	1477	1448	6.00
22	A"	1157	1134	0.63
23	A"	1049	1029	7.19
24	A"	588	576	4.64
25	A"	175	172	6.25
26	A"	124	122	0.28
27	A"	19i	19i	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.147	1.489	0.000
C2	0.000	0.497	0.000
O3	-1.185	0.775	0.000
O4	0.480	-0.781	0.000
C5	-0.536	-1.808	0.000
H6	0.746	2.508	0.000
H7	1.780	1.336	0.885
H8	1.780	1.336	-0.885
H9	0.011	-2.756	0.000
H10	-1.169	-1.725	0.893
H11	-1.169	-1.725	-0.893

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5162	2.4389	2.3663	3.7018	1.0942	1.0990	1.0990	4.3950	4.0606	4.0606
C2	1.5162		1.2172	1.3654	2.3668	2.1441	2.1576	2.1576	3.2537	2.6647	2.6647
O3	2.4389	1.2172		2.2787	2.6632	2.5944	3.1449	3.1449	3.7283	2.6544	2.6544
O4	2.3663	1.3654	2.2787		1.4443	3.2992	2.6375	2.6375	2.0303	2.0989	2.0989
C5	3.7018	2.3668	2.6632	1.4443		4.5018	4.0040	4.0040	1.0946	1.0978	1.0978
H6	1.0942	2.1441	2.5944	3.2992	4.5018		1.7957	1.7957	5.3149	4.7302	4.7302
H7	1.0990	2.1576	3.1449	2.6375	4.0040	1.7957		1.7701	4.5455	4.2501	4.6070
H8	1.0990	2.1576	3.1449	2.6375	4.0040	1.7957	1.7701		4.5455	4.6070	4.2501
H9	4.3950	3.2537	3.7283	2.0303	1.0946	5.3149	4.5455	4.5455		1.8037	1.8037
H10	4.0606	2.6647	2.6544	2.0989	1.0978	4.7302	4.2501	4.6070	1.8037		1.7863
H11	4.0606	2.6647	2.6544	2.0989	1.0978	4.7302	4.6070	4.2501	1.8037	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.024	C1	C2	O4	109.648
C2	C1	H6	109.459	C2	C1	H7	110.511
C2	C1	H8	110.511	C2	O4	C5	115.137
O3	C2	O4	124.327	O4	C5	H9	106.434
O4	C5	H10	110.833	O4	C5	H11	110.833
H6	C1	H7	109.445	H6	C1	H8	109.445
H7	C1	H8	107.437	H9	C5	H10	110.177
H9	C5	H11	110.177	H10	C5	H11	108.389

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

using model chemistry: B97D3/6-31G*

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	-0.537
2	C	0.574
3	O	-0.450
4	O	-0.422
5	C	-0.236
6	H	0.187
7	H	0.185
8	H	0.185
9	H	0.167
10	H	0.173
11	H	0.173

	x	y	z	Total
	1.436	-0.980	0.000	1.739
CHELPG
AIM
ESP

	x	y	z
x	5.944	0.377	0.000
y	0.377	6.845	0.000
z	0.000	0.000	4.291

<r²>	121.027
(<r²>)^1/2	11.001

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

using model chemistry: B97D3/6-31G*

States and conformations

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