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	hartrees
Energy at 0K	-266.931021
Energy at 298.15K	-266.938096
HF Energy	-266.931021
Nuclear repulsion energy	183.542780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3001	30.68
2	A'	3302	3000	6.88
3	A'	3206	2913	36.66
4	A'	3196	2904	4.19
5	A'	1981	1800	375.84
6	A'	1626	1478	5.81
7	A'	1614	1466	23.68
8	A'	1590	1445	13.58
9	A'	1538	1397	79.19
10	A'	1412	1283	445.29
11	A'	1330	1209	5.42
12	A'	1192	1083	82.57
13	A'	1072	974	6.04
14	A'	944	858	20.14
15	A'	696	632	10.64
16	A'	458	416	7.27
17	A'	303	275	14.36
18	A"	3280	2980	31.80
19	A"	3259	2961	11.24
20	A"	1614	1466	7.03
21	A"	1598	1452	7.74
22	A"	1291	1173	3.64
23	A"	1173	1066	9.49
24	A"	666	605	14.71
25	A"	192	174	5.43
26	A"	162	147	3.70
27	A"	80	73	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.131	1.477	0.000
C2	0.000	0.488	0.000
O3	-1.150	0.767	0.000
O4	0.444	-0.760	0.000
C5	-0.520	-1.796	0.000
H6	0.733	2.479	0.000
H7	1.750	1.321	0.875
H8	1.750	1.321	-0.875
H9	0.037	-2.719	0.000
H10	-1.144	-1.736	0.881
H11	-1.144	-1.736	-0.881

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5028	2.3887	2.3398	3.6664	1.0788	1.0830	1.0830	4.3364	4.0343	4.0343
C2	1.5028		1.1832	1.3239	2.3425	2.1223	2.1267	2.1267	3.2071	2.6513	2.6513
O3	2.3887	1.1832		2.2070	2.6397	2.5444	3.0790	3.0790	3.6831	2.6538	2.6538
O4	2.3398	1.3239	2.2070		1.4158	3.2519	2.6080	2.6080	2.0013	2.0617	2.0617
C5	3.6664	2.3425	2.6397	1.4158		4.4556	3.9547	3.9547	1.0784	1.0807	1.0807
H6	1.0788	2.1223	2.5444	3.2519	4.4556		1.7726	1.7726	5.2449	4.6977	4.6977
H7	1.0830	2.1267	3.0790	2.6080	3.9547	1.7726		1.7502	4.4748	4.2098	4.5612
H8	1.0830	2.1267	3.0790	2.6080	3.9547	1.7726	1.7502		4.4748	4.5612	4.2098
H9	4.3364	3.2071	3.6831	2.0013	1.0784	5.2449	4.4748	4.4748		1.7714	1.7714
H10	4.0343	2.6513	2.6538	2.0617	1.0807	4.6977	4.2098	4.5612	1.7714		1.7613
H11	4.0343	2.6513	2.6538	2.0617	1.0807	4.6977	4.5612	4.2098	1.7714	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.155	C1	C2	O4	111.582
C2	C1	H6	109.491	C2	C1	H7	109.596
C2	C1	H8	109.596	C2	O4	C5	117.481
O3	C2	O4	123.263	O4	C5	H9	105.920
O4	C5	H10	110.622	O4	C5	H11	110.622
H6	C1	H7	110.162	H6	C1	H8	110.162
H7	C1	H8	107.811	H9	C5	H10	110.252
H9	C5	H11	110.252	H10	C5	H11	109.144

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

using model chemistry: HF/TZVP

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	-0.305
2	C	0.439
3	O	-0.434
4	O	-0.294
5	C	-0.038
6	H	0.123
7	H	0.110
8	H	0.110
9	H	0.100
10	H	0.094
11	H	0.094

	x	y	z	Total
	1.761	-1.076	0.000	2.064
CHELPG
AIM
ESP

	x	y	z
x	5.970	0.116	0.000
y	0.116	6.251	0.000
z	0.000	0.000	4.635

<r²>	118.586
(<r²>)^1/2	10.890

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

using model chemistry: HF/TZVP

States and conformations

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