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	hartrees
Energy at 0K	-268.266989
Energy at 298.15K
HF Energy	-268.266989
Nuclear repulsion energy	182.071091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3045	3.82
2	A'	3212	3042	12.88
3	A'	3104	2940	24.37
4	A'	3099	2934	0.49
5	A'	1899	1798	249.74
6	A'	1529	1448	7.60
7	A'	1505	1425	30.79
8	A'	1497	1417	10.05
9	A'	1424	1348	96.56
10	A'	1327	1257	324.00
11	A'	1229	1163	1.99
12	A'	1133	1073	51.25
13	A'	1009	955	1.99
14	A'	894	846	17.24
15	A'	659	624	8.32
16	A'	428	405	6.82
17	A'	295	279	12.49
18	A"	3184	3015	19.61
19	A"	3173	3004	2.64
20	A"	1517	1436	6.88
21	A"	1499	1420	7.82
22	A"	1196	1133	1.66
23	A"	1076	1019	8.97
24	A"	607	575	6.70
25	A"	182	173	7.41
26	A"	108	102	0.00
27	A"	91i	86i	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.121	1.495	0.000
C2	0.000	0.488	0.000
O3	-1.177	0.743	0.000
O4	0.481	-0.769	0.000
C5	-0.515	-1.789	0.000
H6	0.702	2.500	0.000
H7	1.749	1.347	0.882
H8	1.749	1.347	-0.882
H9	0.027	-2.734	0.000
H10	-1.146	-1.708	0.888
H11	-1.146	-1.708	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5062	2.4178	2.3524	3.6687	1.0888	1.0930	1.0930	4.3680	4.0226	4.0226
C2	1.5062		1.2047	1.3464	2.3349	2.1305	2.1391	2.1391	3.2224	2.6313	2.6313
O3	2.4178	1.2047		2.2447	2.6177	2.5724	3.1157	3.1157	3.6799	2.6070	2.6070
O4	2.3524	1.3464	2.2447		1.4258	3.2764	2.6202	2.6202	2.0168	2.0778	2.0778
C5	3.6687	2.3349	2.6177	1.4258		4.4582	3.9677	3.9677	1.0891	1.0925	1.0925
H6	1.0888	2.1305	2.5724	3.2764	4.4582		1.7895	1.7895	5.2772	4.6804	4.6804
H7	1.0930	2.1391	3.1157	2.6202	3.9677	1.7895		1.7639	4.5171	4.2090	4.5660
H8	1.0930	2.1391	3.1157	2.6202	3.9677	1.7895	1.7639		4.5171	4.5660	4.2090
H9	4.3680	3.2224	3.6799	2.0168	1.0891	5.2772	4.5171	4.5171		1.7936	1.7936
H10	4.0226	2.6313	2.6070	2.0778	1.0925	4.6804	4.2090	4.5660	1.7936		1.7760
H11	4.0226	2.6313	2.6070	2.0778	1.0925	4.6804	4.5660	4.2090	1.7936	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.850	C1	C2	O4	110.985
C2	C1	H6	109.313	C2	C1	H7	109.745
C2	C1	H8	109.745	C2	O4	C5	114.733
O3	C2	O4	123.165	O4	C5	H9	105.858
O4	C5	H10	110.500	O4	C5	H11	110.500
H6	C1	H7	110.215	H6	C1	H8	110.215
H7	C1	H8	107.590	H9	C5	H10	110.611
H9	C5	H11	110.611	H10	C5	H11	108.752

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

using model chemistry: M06-2X/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	-0.558
2	C	0.607
3	O	-0.475
4	O	-0.474
5	C	-0.241
6	H	0.200
7	H	0.199
8	H	0.199
9	H	0.180
10	H	0.182
11	H	0.182

	x	y	z
x	5.701	0.230	0.000
y	0.230	6.313	0.000
z	0.000	0.000	4.235

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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