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	hartrees
Energy at 0K	-268.419226
Energy at 298.15K	-268.425833
HF Energy	-268.419226
Nuclear repulsion energy	181.383638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3059	9.22
2	A'	3160	3049	18.12
3	A'	3054	2947	5.20
4	A'	3049	2942	26.78
5	A'	1813	1749	205.95
6	A'	1508	1456	7.18
7	A'	1483	1431	14.89
8	A'	1473	1421	10.18
9	A'	1395	1346	33.70
10	A'	1265	1220	304.17
11	A'	1208	1166	1.67
12	A'	1069	1032	77.47
13	A'	981	947	1.54
14	A'	855	825	15.46
15	A'	636	614	5.50
16	A'	408	393	6.46
17	A'	274	264	11.10
18	A"	3127	3018	23.36
19	A"	3122	3013	6.47
20	A"	1492	1440	6.73
21	A"	1488	1436	4.54
22	A"	1176	1135	1.39
23	A"	1061	1024	5.54
24	A"	600	579	4.63
25	A"	179	173	5.80
26	A"	108	104	0.13
27	A"	34	33	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.137	1.471	0.000
C2	0.000	0.494	0.000
O3	-1.180	0.765	0.000
O4	0.480	-0.776	0.000
C5	-0.528	-1.783	0.000
H6	0.741	2.486	0.000
H7	1.766	1.322	0.883
H8	1.766	1.322	-0.883
H9	-0.005	-2.742	0.000
H10	-1.161	-1.695	0.888
H11	-1.161	-1.695	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4989	2.4219	2.3409	3.6545	1.0901	1.0941	1.0941	4.3644	4.0113	4.0113
C2	1.4989		1.2110	1.3577	2.3369	2.1258	2.1411	2.1411	3.2353	2.6320	2.6320
O3	2.4219	1.2110		2.2657	2.6304	2.5790	3.1256	3.1256	3.6985	2.6159	2.6159
O4	2.3409	1.3577	2.2657		1.4244	3.2730	2.6146	2.6146	2.0244	2.0798	2.0798
C5	3.6545	2.3369	2.6304	1.4244		4.4536	3.9600	3.9600	1.0918	1.0938	1.0938
H6	1.0901	2.1258	2.5790	3.2730	4.4536		1.7848	1.7848	5.2809	4.6787	4.6787
H7	1.0941	2.1411	3.1256	2.6146	3.9600	1.7848		1.7653	4.5201	4.2039	4.5614
H8	1.0941	2.1411	3.1256	2.6146	3.9600	1.7848	1.7653		4.5201	4.5614	4.2039
H9	4.3644	3.2353	3.6985	2.0244	1.0918	5.2809	4.5201	4.5201		1.7938	1.7938
H10	4.0113	2.6320	2.6159	2.0798	1.0938	4.6787	4.2039	4.5614	1.7938		1.7752
H11	4.0113	2.6320	2.6159	2.0798	1.0938	4.6787	4.5614	4.2039	1.7938	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.361	C1	C2	O4	109.967
C2	C1	H6	109.373	C2	C1	H7	110.351
C2	C1	H8	110.351	C2	O4	C5	114.254
O3	C2	O4	123.672	O4	C5	H9	106.386
O4	C5	H10	110.676	O4	C5	H11	110.676
H6	C1	H7	109.596	H6	C1	H8	109.596
H7	C1	H8	107.549	H9	C5	H10	110.317
H9	C5	H11	110.317	H10	C5	H11	108.472

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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