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	hartrees
Energy at 0K	-266.857596
Energy at 298.15K	-266.864689
Nuclear repulsion energy	183.257388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3020	31.55
2	A'	3326	3020	4.08
3	A'	3217	2921	37.47
4	A'	3207	2912	4.58
5	A'	2010	1825	355.21
6	A'	1605	1457	4.45
7	A'	1594	1448	44.69
8	A'	1565	1421	12.92
9	A'	1522	1382	119.48
10	A'	1412	1282	396.51
11	A'	1317	1196	3.78
12	A'	1191	1081	80.43
13	A'	1070	971	4.70
14	A'	947	860	18.47
15	A'	697	633	12.65
16	A'	454	412	8.09
17	A'	305	277	13.07
18	A"	3305	3001	31.66
19	A"	3283	2981	9.38
20	A"	1590	1443	6.56
21	A"	1575	1430	6.91
22	A"	1274	1157	3.60
23	A"	1164	1057	11.71
24	A"	665	604	12.73
25	A"	188	170	6.23
26	A"	161	146	1.99
27	A"	99	89	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.128	1.478	0.000
C2	0.000	0.488	0.000
O3	-1.154	0.763	0.000
O4	0.451	-0.761	0.000
C5	-0.520	-1.792	0.000
H6	0.727	2.488	0.000
H7	1.752	1.319	0.880
H8	1.752	1.319	-0.880
H9	0.037	-2.725	0.000
H10	-1.148	-1.729	0.886
H11	-1.148	-1.729	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5017	2.3916	2.3397	3.6627	1.0861	1.0903	1.0903	4.3430	4.0318	4.0318
C2	1.5017		1.1862	1.3276	2.3385	2.1282	2.1298	2.1298	3.2128	2.6488	2.6488
O3	2.3916	1.1862		2.2133	2.6328	2.5519	3.0868	3.0868	3.6855	2.6446	2.6446
O4	2.3397	1.3276	2.2133		1.4166	3.2605	2.6066	2.6066	2.0073	2.0690	2.0690
C5	3.6627	2.3385	2.6328	1.4166		4.4580	3.9521	3.9521	1.0860	1.0883	1.0883
H6	1.0861	2.1282	2.5519	3.2605	4.4580		1.7862	1.7862	5.2583	4.6991	4.6991
H7	1.0903	2.1298	3.0868	2.6066	3.9521	1.7862		1.7599	4.4804	4.2076	4.5632
H8	1.0903	2.1298	3.0868	2.6066	3.9521	1.7862	1.7599		4.4804	4.5632	4.2076
H9	4.3430	3.2128	3.6855	2.0073	1.0860	5.2583	4.4804	4.4804		1.7838	1.7838
H10	4.0318	2.6488	2.6446	2.0690	1.0883	4.6991	4.2076	4.5632	1.7838		1.7724
H11	4.0318	2.6488	2.6446	2.0690	1.0883	4.6991	4.5632	4.2076	1.7838	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.283	C1	C2	O4	111.425
C2	C1	H6	109.605	C2	C1	H7	109.482
C2	C1	H8	109.482	C2	O4	C5	116.858
O3	C2	O4	123.292	O4	C5	H9	105.901
O4	C5	H10	110.692	O4	C5	H11	110.692
H6	C1	H7	110.312	H6	C1	H8	110.312
H7	C1	H8	107.617	H9	C5	H10	110.251
H9	C5	H11	110.251	H10	C5	H11	109.029

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

using model chemistry: HF/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	CHELPG
1	C	-0.002	-0.401
2	C	0.309	0.110
3	O	-0.367	0.112
4	O	-0.433	0.112
5	C	0.173	0.014
6	H	0.061	0.014
7	H	0.063	0.165
8	H	0.063	-0.490
9	H	0.046	-0.617
10	H	0.043	0.918
11	H	0.043	0.065

	x	y	z	Total
	1.658	-1.014	0.000	1.943
CHELPG
AIM
ESP

	x	y	z
x	5.513	0.260	0.000
y	0.260	5.990	0.000
z	0.000	0.000	4.198

<r²>	117.321
(<r²>)^1/2	10.832

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

using model chemistry: HF/cc-pVDZ

States and conformations

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