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	hartrees
Energy at 0K	-268.396757
Energy at 298.15K	-268.403436
Nuclear repulsion energy	180.546938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3058	7.13
2	A'	3172	3048	17.30
3	A'	3067	2947	4.13
4	A'	3063	2943	27.12
5	A'	1835	1764	221.77
6	A'	1511	1452	7.40
7	A'	1486	1428	17.72
8	A'	1481	1423	9.34
9	A'	1407	1352	50.92
10	A'	1286	1235	331.54
11	A'	1212	1164	1.40
12	A'	1082	1040	67.68
13	A'	989	951	1.14
14	A'	864	830	16.65
15	A'	645	619	5.95
16	A'	421	405	6.33
17	A'	282	271	12.20
18	A"	3140	3017	23.21
19	A"	3134	3011	5.82
20	A"	1496	1438	6.99
21	A"	1490	1432	6.09
22	A"	1179	1132	0.94
23	A"	1067	1025	8.01
24	A"	602	579	6.00
25	A"	180	173	6.62
26	A"	119	115	0.20
27	A"	46	44	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.130	1.495	0.000
C2	0.000	0.494	0.000
O3	-1.181	0.760	0.000
O4	0.479	-0.773	0.000
C5	-0.521	-1.805	0.000
H6	0.720	2.504	0.000
H7	1.762	1.349	0.881
H8	1.762	1.349	-0.881
H9	0.027	-2.747	0.000
H10	-1.153	-1.730	0.888
H11	-1.153	-1.730	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5100	2.4257	2.3595	3.6899	1.0893	1.0938	1.0938	4.3830	4.0504	4.0504
C2	1.5100		1.2111	1.3540	2.3569	2.1352	2.1472	2.1472	3.2408	2.6580	2.6580
O3	2.4257	1.2111		2.2598	2.6489	2.5798	3.1280	3.1280	3.7097	2.6442	2.6442
O4	2.3595	1.3540	2.2598		1.4368	3.2856	2.6310	2.6310	2.0252	2.0903	2.0903
C5	3.6899	2.3569	2.6489	1.4368		4.4839	3.9913	3.9913	1.0899	1.0928	1.0928
H6	1.0893	2.1352	2.5798	3.2856	4.4839		1.7879	1.7879	5.2964	4.7145	4.7145
H7	1.0938	2.1472	3.1280	2.6310	3.9913	1.7879		1.7624	4.5341	4.2399	4.5942
H8	1.0938	2.1472	3.1280	2.6310	3.9913	1.7879	1.7624		4.5341	4.5942	4.2399
H9	4.3830	3.2408	3.7097	2.0252	1.0899	5.2964	4.5341	4.5341		1.7934	1.7934
H10	4.0504	2.6580	2.6442	2.0903	1.0928	4.7145	4.2399	4.5942	1.7934		1.7758
H11	4.0504	2.6580	2.6442	2.0903	1.0928	4.7145	4.5942	4.2399	1.7934	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.756	C1	C2	O4	110.823
C2	C1	H6	109.394	C2	C1	H7	110.079
C2	C1	H8	110.079	C2	O4	C5	115.211
O3	C2	O4	123.421	O4	C5	H9	105.728
O4	C5	H10	110.710	O4	C5	H11	110.710
H6	C1	H7	109.964	H6	C1	H8	109.964
H7	C1	H8	107.338	H9	C5	H10	110.501
H9	C5	H11	110.501	H10	C5	H11	108.682

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

using model chemistry: B3LYP/6-31G**

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	-0.383
2	C	0.582
3	O	-0.468
4	O	-0.451
5	C	-0.083
6	H	0.141
7	H	0.142
8	H	0.142
9	H	0.119
10	H	0.129
11	H	0.129

	x	y	z	Total
	1.500	-0.953	0.000	1.777
CHELPG
AIM
ESP

	x	y	z
x	5.410	-0.203	0.000
y	-0.203	7.108	0.000
z	0.000	0.000	4.210

<r²>	119.083
(<r²>)^1/2	10.913

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

using model chemistry: B3LYP/6-31G**

States and conformations

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