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	hartrees
Energy at 0K	-266.827125
Energy at 298.15K
HF Energy	-266.827125
Nuclear repulsion energy	179.761453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3055	3.68
2	A'	3216	3048	11.03
3	A'	3114	2952	0.48
4	A'	3098	2936	17.60
5	A'	1817	1722	155.11
6	A'	1566	1484	10.92
7	A'	1531	1451	21.13
8	A'	1509	1430	14.68
9	A'	1451	1375	45.74
10	A'	1282	1215	336.21
11	A'	1204	1141	5.70
12	A'	1087	1030	63.48
13	A'	995	943	0.97
14	A'	836	793	14.62
15	A'	645	611	6.04
16	A'	413	391	6.73
17	A'	274	260	15.11
18	A"	3183	3017	2.02
19	A"	3171	3005	18.98
20	A"	1555	1474	12.20
21	A"	1544	1463	11.74
22	A"	1175	1113	0.00
23	A"	1110	1052	14.98
24	A"	608	576	5.13
25	A"	173	164	10.78
26	A"	84	80	0.08
27	A"	28i	26i	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.156	1.466	0.000
C2	0.000	0.516	0.000
O3	-1.190	0.796	0.000
O4	0.472	-0.772	0.000
C5	-0.531	-1.817	0.000
H6	0.778	2.488	0.000
H7	1.779	1.299	0.884
H8	1.779	1.299	-0.884
H9	0.008	-2.765	0.000
H10	-1.173	-1.754	0.883
H11	-1.173	-1.754	-0.883

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4968	2.4405	2.3402	3.6913	1.0895	1.0939	1.0939	4.3837	4.0707	4.0707
C2	1.4968		1.2232	1.3711	2.3923	2.1202	2.1352	2.1352	3.2802	2.7027	2.7027
O3	2.4405	1.2232		2.2853	2.6953	2.5955	3.1384	3.1384	3.7573	2.6986	2.6986
O4	2.3402	1.3711	2.2853		1.4485	3.2740	2.6036	2.6036	2.0460	2.1092	2.1092
C5	3.6913	2.3923	2.6953	1.4485		4.4995	3.9784	3.9784	1.0902	1.0936	1.0936
H6	1.0895	2.1202	2.5955	3.2740	4.4995		1.7874	1.7874	5.3085	4.7513	4.7513
H7	1.0939	2.1352	3.1384	2.6036	3.9784	1.7874		1.7681	4.5202	4.2463	4.5994
H8	1.0939	2.1352	3.1384	2.6036	3.9784	1.7874	1.7681		4.5202	4.5994	4.2463
H9	4.3837	3.2802	3.7573	2.0460	1.0902	5.3085	4.5202	4.5202		1.7880	1.7880
H10	4.0707	2.7027	2.6986	2.1092	1.0936	4.7513	4.2463	4.5994	1.7880		1.7665
H11	4.0707	2.7027	2.6986	2.1092	1.0936	4.7513	4.5994	4.2463	1.7880	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.310	C1	C2	O4	109.291
C2	C1	H6	109.111	C2	C1	H7	110.042
C2	C1	H8	110.042	C2	O4	C5	116.054
O3	C2	O4	123.399	O4	C5	H9	106.543
O4	C5	H10	111.371	O4	C5	H11	111.371
H6	C1	H7	109.897	H6	C1	H8	109.897
H7	C1	H8	107.840	H9	C5	H10	109.915
H9	C5	H11	109.915	H10	C5	H11	107.735

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

using model chemistry: wB97X-D/3-21G*

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	-0.694
2	C	0.661
3	O	-0.498
4	O	-0.531
5	C	-0.388
6	H	0.247
7	H	0.254
8	H	0.254
9	H	0.232
10	H	0.232
11	H	0.232

	x	y	z	Total
	1.298	-0.938	0.000	1.601
CHELPG
AIM
ESP

	x	y	z
x	5.267	0.265	0.000
y	0.265	6.028	0.000
z	0.000	0.000	3.718

<r²>	121.380
(<r²>)^1/2	11.017

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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