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	hartrees
Energy at 0K	-268.495799
Energy at 298.15K	-268.502512
Nuclear repulsion energy	181.101788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3052	6.90
2	A'	3150	3045	15.04
3	A'	3052	2950	5.32
4	A'	3049	2947	25.87
5	A'	1805	1745	245.19
6	A'	1501	1451	8.41
7	A'	1475	1426	20.51
8	A'	1472	1423	10.58
9	A'	1398	1352	43.52
10	A'	1265	1223	332.04
11	A'	1210	1169	1.15
12	A'	1071	1035	80.94
13	A'	984	951	1.27
14	A'	856	827	19.70
15	A'	644	622	5.15
16	A'	424	409	5.93
17	A'	282	272	11.99
18	A"	3118	3013	21.12
19	A"	3109	3005	5.53
20	A"	1485	1436	9.37
21	A"	1478	1429	6.23
22	A"	1176	1137	1.18
23	A"	1069	1033	6.47
24	A"	610	590	5.28
25	A"	178	172	6.30
26	A"	128	124	0.40
27	A"	45	44	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.129	1.491	0.000
C2	0.000	0.495	0.000
O3	-1.174	0.764	0.000
O4	0.473	-0.770	0.000
C5	-0.522	-1.807	0.000
H6	0.723	2.498	0.000
H7	1.757	1.342	0.878
H8	1.757	1.342	-0.878
H9	0.030	-2.742	0.000
H10	-1.151	-1.734	0.886
H11	-1.151	-1.734	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5056	2.4145	2.3547	3.6879	1.0853	1.0900	1.0900	4.3736	4.0475	4.0475
C2	1.5056		1.2042	1.3506	2.3601	2.1294	2.1391	2.1391	3.2372	2.6602	2.6602
O3	2.4145	1.2042		2.2506	2.6525	2.5696	3.1136	3.1136	3.7072	2.6508	2.6508
O4	2.3547	1.3506	2.2506		1.4363	3.2777	2.6233	2.6233	2.0209	2.0852	2.0852
C5	3.6879	2.3601	2.6525	1.4363		4.4810	3.9846	3.9846	1.0857	1.0887	1.0887
H6	1.0853	2.1294	2.5696	3.2777	4.4810		1.7823	1.7823	5.2855	4.7121	4.7121
H7	1.0900	2.1391	3.1136	2.6233	3.9846	1.7823		1.7560	4.5202	4.2327	4.5855
H8	1.0900	2.1391	3.1136	2.6233	3.9846	1.7823	1.7560		4.5202	4.5855	4.2327
H9	4.3736	3.2372	3.7072	2.0209	1.0857	5.2855	4.5202	4.5202		1.7872	1.7872
H10	4.0475	2.6602	2.6508	2.0852	1.0887	4.7121	4.2327	4.5855	1.7872		1.7713
H11	4.0475	2.6602	2.6508	2.0852	1.0887	4.7121	4.5855	4.2327	1.7872	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.648	C1	C2	O4	110.946
C2	C1	H6	109.478	C2	C1	H7	109.969
C2	C1	H8	109.969	C2	O4	C5	115.712
O3	C2	O4	123.406	O4	C5	H9	105.669
O4	C5	H10	110.592	O4	C5	H11	110.592
H6	C1	H7	110.041	H6	C1	H8	110.041
H7	C1	H8	107.318	H9	C5	H10	110.549
H9	C5	H11	110.549	H10	C5	H11	108.872

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

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	C	-0.285	-0.523
2	C	0.300	0.146
3	O	-0.314	0.147
4	O	-0.239	0.147
5	C	-0.096	0.058
6	H	0.118	0.058
7	H	0.111	-0.029
8	H	0.111	-0.392
9	H	0.106	-0.553
10	H	0.094	0.828
11	H	0.094	0.113

	x	y	z	Total
	1.579	-0.974	0.000	1.855
CHELPG
AIM
ESP	-2.365	-3.853	0.000	4.521

	x	y	z
x	6.285	-0.194	0.000
y	-0.194	7.856	0.000
z	0.000	0.000	4.899

<r²>	118.900
(<r²>)^1/2	10.904

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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