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	hartrees
Energy at 0K	-266.874186
Energy at 298.15K	-266.881280
Nuclear repulsion energy	182.590014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3016	29.46
2	A'	3311	3015	7.14
3	A'	3209	2922	40.86
4	A'	3195	2910	4.46
5	A'	1962	1787	358.22
6	A'	1597	1454	6.92
7	A'	1590	1448	40.01
8	A'	1564	1424	12.96
9	A'	1518	1382	91.77
10	A'	1401	1275	385.09
11	A'	1313	1196	3.24
12	A'	1181	1076	85.30
13	A'	1065	969	5.23
14	A'	938	854	17.44
15	A'	692	630	11.73
16	A'	453	412	8.04
17	A'	304	277	14.32
18	A"	3294	2999	28.85
19	A"	3265	2973	11.24
20	A"	1588	1446	8.52
21	A"	1575	1434	6.02
22	A"	1273	1159	3.13
23	A"	1159	1056	9.00
24	A"	667	607	11.76
25	A"	192	175	4.26
26	A"	164	149	3.88
27	A"	93	85	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.121	1.488	0.000
C2	0.000	0.487	0.000
O3	-1.158	0.758	0.000
O4	0.455	-0.760	0.000
C5	-0.513	-1.800	0.000
H6	0.709	2.492	0.000
H7	1.745	1.336	0.880
H8	1.745	1.336	-0.880
H9	0.050	-2.727	0.000
H10	-1.138	-1.736	0.886
H11	-1.138	-1.736	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5034	2.3936	2.3453	3.6716	1.0846	1.0892	1.0892	4.3492	4.0359	4.0359
C2	1.5034		1.1898	1.3278	2.3432	2.1265	2.1306	2.1306	3.2141	2.6501	2.6501
O3	2.3936	1.1898		2.2162	2.6383	2.5478	3.0879	3.0879	3.6889	2.6475	2.6475
O4	2.3453	1.3278	2.2162		1.4203	3.2620	2.6138	2.6138	2.0078	2.0682	2.0682
C5	3.6716	2.3432	2.6383	1.4203		4.4618	3.9627	3.9627	1.0847	1.0866	1.0866
H6	1.0846	2.1265	2.5478	3.2620	4.4618		1.7839	1.7839	5.2600	4.6982	4.6982
H7	1.0892	2.1306	3.0879	2.6138	3.9627	1.7839		1.7602	4.4893	4.2131	4.5684
H8	1.0892	2.1306	3.0879	2.6138	3.9627	1.7839	1.7602		4.4893	4.5684	4.2131
H9	4.3492	3.2141	3.6889	2.0078	1.0847	5.2600	4.4893	4.4893		1.7829	1.7829
H10	4.0359	2.6501	2.6475	2.0682	1.0866	4.6982	4.2131	4.5684	1.7829		1.7725
H11	4.0359	2.6501	2.6475	2.0682	1.0866	4.6982	4.5684	4.2131	1.7829	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.028	C1	C2	O4	111.714
C2	C1	H6	109.441	C2	C1	H7	109.491
C2	C1	H8	109.491	C2	O4	C5	116.966
O3	C2	O4	123.258	O4	C5	H9	105.772
O4	C5	H10	110.470	O4	C5	H11	110.470
H6	C1	H7	110.293	H6	C1	H8	110.293
H7	C1	H8	107.806	H9	C5	H10	110.399
H9	C5	H11	110.399	H10	C5	H11	109.293

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

using model chemistry: HF/aug-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
1	C	0.273
2	C	0.700
3	O	-0.685
4	O	-0.816
5	C	0.871
6	H	-0.023
7	H	0.032
8	H	0.032
9	H	-0.245
10	H	-0.069
11	H	-0.069

	x	y	z	Total
	1.827	-1.010	0.000	2.088
CHELPG
AIM
ESP

	x	y	z
x	6.165	-0.058	0.000
y	-0.058	7.499	0.000
z	0.000	0.000	5.000

<r²>	117.642
(<r²>)^1/2	10.846

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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