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	hartrees
Energy at 0K	-268.392071
Energy at 298.15K	-268.398772
Nuclear repulsion energy	182.316930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3058	6.27
2	A'	3188	3050	15.74
3	A'	3079	2946	2.79
4	A'	3072	2939	27.34
5	A'	1856	1775	260.15
6	A'	1504	1439	8.63
7	A'	1480	1416	31.51
8	A'	1471	1408	14.07
9	A'	1398	1338	85.76
10	A'	1293	1237	317.77
11	A'	1216	1163	1.05
12	A'	1100	1052	61.99
13	A'	996	953	1.80
14	A'	881	843	19.11
15	A'	656	628	6.50
16	A'	426	408	6.21
17	A'	286	274	12.39
18	A"	3151	3014	6.71
19	A"	3150	3013	21.13
20	A"	1486	1422	10.65
21	A"	1476	1412	9.31
22	A"	1181	1130	0.79
23	A"	1067	1020	8.26
24	A"	611	585	5.45
25	A"	182	174	7.07
26	A"	119	113	0.25
27	A"	31	30	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.123	1.486	0.000
C2	0.000	0.491	0.000
O3	-1.172	0.753	0.000
O4	0.474	-0.767	0.000
C5	-0.518	-1.791	0.000
H6	0.715	2.492	0.000
H7	1.752	1.335	0.879
H8	1.752	1.335	-0.879
H9	0.028	-2.731	0.000
H10	-1.149	-1.716	0.886
H11	-1.149	-1.716	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5005	2.4091	2.3440	3.6650	1.0866	1.0911	1.0911	4.3567	4.0250	4.0250
C2	1.5005		1.2007	1.3441	2.3401	2.1256	2.1340	2.1340	3.2220	2.6413	2.6413
O3	2.4091	1.2007		2.2404	2.6268	2.5662	3.1076	3.1076	3.6849	2.6236	2.6236
O4	2.3440	1.3441	2.2404		1.4265	3.2682	2.6118	2.6118	2.0144	2.0791	2.0791
C5	3.6650	2.3401	2.6268	1.4265		4.4577	3.9621	3.9621	1.0870	1.0906	1.0906
H6	1.0866	2.1256	2.5662	3.2682	4.4577		1.7854	1.7854	5.2686	4.6876	4.6876
H7	1.0911	2.1340	3.1076	2.6118	3.9621	1.7854		1.7584	4.5030	4.2099	4.5651
H8	1.0911	2.1340	3.1076	2.6118	3.9621	1.7854	1.7584		4.5030	4.5651	4.2099
H9	4.3567	3.2220	3.6849	2.0144	1.0870	5.2686	4.5030	4.5030		1.7891	1.7891
H10	4.0250	2.6413	2.6236	2.0791	1.0906	4.6876	4.2099	4.5651	1.7891		1.7729
H11	4.0250	2.6413	2.6236	2.0791	1.0906	4.6876	4.5651	4.2099	1.7891	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.855	C1	C2	O4	110.858
C2	C1	H6	109.454	C2	C1	H7	109.849
C2	C1	H8	109.849	C2	O4	C5	115.233
O3	C2	O4	123.288	O4	C5	H9	105.747
O4	C5	H10	110.677	O4	C5	H11	110.677
H6	C1	H7	110.142	H6	C1	H8	110.142
H7	C1	H8	107.381	H9	C5	H10	110.494
H9	C5	H11	110.494	H10	C5	H11	108.743

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

using model chemistry: mPW1PW91/6-311G**

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	-0.333
2	C	0.323
3	O	-0.361
4	O	-0.324
5	C	-0.151
6	H	0.151
7	H	0.149
8	H	0.149
9	H	0.129
10	H	0.134
11	H	0.134

	x	y	z	Total
	1.522	-0.956	0.000	1.797
CHELPG
AIM
ESP

	x	y	z
x	6.071	0.383	0.000
y	0.383	6.791	0.000
z	0.000	0.000	4.521

<r²>	118.929
(<r²>)^1/2	10.905

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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