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	hartrees
Energy at 0K	-268.084364
Energy at 298.15K	-268.091106
HF Energy	-268.084364
Nuclear repulsion energy	182.024085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3058	4.89
2	A'	3209	3049	15.19
3	A'	3096	2942	3.60
4	A'	3093	2939	24.83
5	A'	1876	1783	232.85
6	A'	1525	1449	8.75
7	A'	1500	1425	27.26
8	A'	1494	1420	13.42
9	A'	1422	1351	81.41
10	A'	1319	1253	310.80
11	A'	1224	1163	1.07
12	A'	1116	1061	53.58
13	A'	1007	957	1.40
14	A'	887	843	15.72
15	A'	656	623	6.64
16	A'	425	404	6.46
17	A'	287	273	12.63
18	A"	3175	3017	20.05
19	A"	3170	3012	3.37
20	A"	1512	1437	8.21
21	A"	1501	1426	8.39
22	A"	1191	1132	0.75
23	A"	1076	1023	9.74
24	A"	611	580	5.63
25	A"	184	175	6.75
26	A"	132	126	0.20
27	A"	50	48	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.122	1.489	0.000
C2	0.000	0.488	0.000
O3	-1.179	0.749	0.000
O4	0.480	-0.769	0.000
C5	-0.515	-1.788	0.000
H6	0.709	2.497	0.000
H7	1.755	1.344	0.881
H8	1.755	1.344	-0.881
H9	0.028	-2.733	0.000
H10	-1.148	-1.711	0.888
H11	-1.148	-1.711	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5033	2.4169	2.3472	3.6633	1.0899	1.0944	1.0944	4.3615	4.0228	4.0228
C2	1.5033		1.2072	1.3458	2.3342	2.1306	2.1418	2.1418	3.2219	2.6354	2.6354
O3	2.4169	1.2072		2.2484	2.6224	2.5733	3.1201	3.1201	3.6856	2.6156	2.6156
O4	2.3472	1.3458	2.2484		1.4246	3.2744	2.6203	2.6203	2.0157	2.0804	2.0804
C5	3.6633	2.3342	2.6224	1.4246		4.4572	3.9674	3.9674	1.0904	1.0935	1.0935
H6	1.0899	2.1306	2.5733	3.2744	4.4572		1.7888	1.7888	5.2749	4.6852	4.6852
H7	1.0944	2.1418	3.1201	2.6203	3.9674	1.7888		1.7627	4.5147	4.2143	4.5708
H8	1.0944	2.1418	3.1201	2.6203	3.9674	1.7888	1.7627		4.5147	4.5708	4.2143
H9	4.3615	3.2219	3.6856	2.0157	1.0904	5.2749	4.5147	4.5147		1.7941	1.7941
H10	4.0228	2.6354	2.6156	2.0804	1.0935	4.6852	4.2143	4.5708	1.7941		1.7765
H11	4.0228	2.6354	2.6156	2.0804	1.0935	4.6852	4.5708	4.2143	1.7941	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.819	C1	C2	O4	110.824
C2	C1	H6	109.455	C2	C1	H7	110.082
C2	C1	H8	110.082	C2	O4	C5	114.789
O3	C2	O4	123.357	O4	C5	H9	105.776
O4	C5	H10	110.729	O4	C5	H11	110.729
H6	C1	H7	109.954	H6	C1	H8	109.954
H7	C1	H8	107.290	H9	C5	H10	110.475
H9	C5	H11	110.475	H10	C5	H11	108.651

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

using model chemistry: PBE1PBE/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	-0.608
2	C	0.604
3	O	-0.469
4	O	-0.443
5	C	-0.292
6	H	0.212
7	H	0.210
8	H	0.210
9	H	0.189
10	H	0.194
11	H	0.194

	x	y	z	Total
	1.522	-0.937	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	5.730	0.275	0.000
y	0.275	6.436	0.000
z	0.000	0.000	4.214

<r²>	118.935
(<r²>)^1/2	10.906

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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