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	hartrees
Energy at 0K	-51.375062
Energy at 298.15K	-51.382093
Nuclear repulsion energy	101.822667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3012	38.44
2	A'	3328	3007	16.91
3	A'	3229	2917	46.92
4	A'	3215	2904	8.68
5	A'	1961	1771	381.13
6	A'	1633	1475	7.55
7	A'	1616	1460	16.56
8	A'	1602	1448	12.59
9	A'	1546	1397	78.93
10	A'	1411	1275	448.92
11	A'	1328	1200	6.41
12	A'	1189	1074	87.44
13	A'	1070	966	9.68
14	A'	938	847	19.57
15	A'	685	619	11.77
16	A'	448	405	8.26
17	A'	301	272	13.63
18	A"	3317	2997	42.79
19	A"	3286	2968	19.32
20	A"	1625	1468	4.93
21	A"	1608	1453	6.49
22	A"	1289	1164	4.66
23	A"	1171	1058	7.16
24	A"	658	594	15.46
25	A"	192	173	5.33
26	A"	162	146	3.70
27	A"	77	70	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.149	1.488	0.000
C2	0.000	0.499	0.000
O3	-1.159	0.791	0.000
O4	0.440	-0.761	0.000
C5	-0.553	-1.785	0.000
H6	0.755	2.495	0.000
H7	1.767	1.328	0.877
H8	1.767	1.328	-0.877
H9	-0.009	-2.720	0.000
H10	-1.174	-1.710	0.883
H11	-1.174	-1.710	-0.883

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5154	2.4101	2.3578	3.6892	1.0810	1.0851	1.0851	4.3639	4.0503	4.0503
C2	1.5154		1.1947	1.3346	2.3507	2.1336	2.1394	2.1394	3.2190	2.6537	2.6537
O3	2.4101	1.1947		2.2276	2.6465	2.5624	3.1009	3.1009	3.6941	2.6526	2.6526
O4	2.3578	1.3346	2.2276		1.4266	3.2709	2.6252	2.6252	2.0096	2.0705	2.0705
C5	3.6892	2.3507	2.6465	1.4266		4.4757	3.9801	3.9801	1.0812	1.0828	1.0828
H6	1.0810	2.1336	2.5624	3.2709	4.4757		1.7765	1.7765	5.2702	4.7102	4.7102
H7	1.0851	2.1394	3.1009	2.6252	3.9801	1.7765		1.7542	4.5057	4.2283	4.5802
H8	1.0851	2.1394	3.1009	2.6252	3.9801	1.7765	1.7542		4.5057	4.5802	4.2283
H9	4.3639	3.2190	3.6941	2.0096	1.0812	5.2702	4.5057	4.5057		1.7771	1.7771
H10	4.0503	2.6537	2.6526	2.0705	1.0828	4.7102	4.2283	4.5802	1.7771		1.7669
H11	4.0503	2.6537	2.6526	2.0705	1.0828	4.7102	4.5802	4.2283	1.7771	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.156	C1	C2	O4	111.486
C2	C1	H6	109.379	C2	C1	H7	109.599
C2	C1	H8	109.599	C2	O4	C5	116.677
O3	C2	O4	123.358	O4	C5	H9	105.692
O4	C5	H10	110.455	O4	C5	H11	110.455
H6	C1	H7	110.189	H6	C1	H8	110.189
H7	C1	H8	107.865	H9	C5	H10	110.420
H9	C5	H11	110.420	H10	C5	H11	109.359

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

using model chemistry: HF/CEP-121G*

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	-0.605
2	C	0.522
3	O	-0.430
4	O	-0.330
5	C	-0.271
6	H	0.203
7	H	0.188
8	H	0.188
9	H	0.182
10	H	0.177
11	H	0.177

	x	y	z	Total
	1.742	-1.114	0.000	2.068
CHELPG
AIM
ESP

	x	y	z
x	5.280	-0.097	0.000
y	-0.097	6.634	0.000
z	0.000	0.000	4.404

<r²>	98.171
(<r²>)^1/2	9.908

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

using model chemistry: HF/CEP-121G*

States and conformations

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