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	hartrees
Energy at 0K	-267.100738
Energy at 298.15K
HF Energy	-267.100738
Nuclear repulsion energy	182.775198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3082	0.75
2	A'	3104	3068	6.13
3	A'	2996	2962	0.16
4	A'	2979	2945	20.97
5	A'	1799	1779	238.46
6	A'	1429	1412	7.73
7	A'	1410	1393	67.04
8	A'	1396	1380	19.21
9	A'	1336	1320	118.78
10	A'	1258	1244	207.18
11	A'	1160	1147	2.48
12	A'	1080	1068	43.26
13	A'	965	954	1.89
14	A'	862	852	18.81
15	A'	650	642	4.49
16	A'	421	417	5.39
17	A'	284	281	13.97
18	A"	3069	3034	0.28
19	A"	3053	3018	11.02
20	A"	1405	1389	16.82
21	A"	1399	1383	11.18
22	A"	1130	1117	0.08
23	A"	1018	1006	8.59
24	A"	592	585	3.25
25	A"	187	185	7.18
26	A"	105	104	0.29
27	A"	57i	57i	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	1.088	1.498	0.000
C2	0.000	0.488	0.000
O3	-1.185	0.718	0.000
O4	0.495	-0.760	0.000
C5	-0.488	-1.780	0.000
H6	0.655	2.503	0.000
H7	1.729	1.365	0.884
H8	1.729	1.365	-0.884
H9	0.059	-2.729	0.000
H10	-1.130	-1.703	0.890
H11	-1.130	-1.703	-0.890

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4841	2.4027	2.3339	3.6368	1.0948	1.0996	1.0996	4.3507	3.9949	3.9949
C2	1.4841		1.2066	1.3429	2.3202	2.1186	2.1303	2.1303	3.2183	2.6217	2.6217
O3	2.4027	1.2066		2.2375	2.5933	2.5634	3.1125	3.1125	3.6648	2.5804	2.5804
O4	2.3339	1.3429	2.2375		1.4169	3.2669	2.6107	2.6107	2.0175	2.0798	2.0798
C5	3.6368	2.3202	2.5933	1.4169		4.4330	3.9477	3.9477	1.0955	1.1004	1.1004
H6	1.0948	2.1186	2.5634	3.2669	4.4330		1.7972	1.7972	5.2665	4.6555	4.6555
H7	1.0996	2.1303	3.1125	2.6107	3.9477	1.7972		1.7671	4.5093	4.1938	4.5535
H8	1.0996	2.1303	3.1125	2.6107	3.9477	1.7972	1.7671		4.5093	4.5535	4.1938
H9	4.3507	3.2183	3.6648	2.0175	1.0955	5.2665	4.5093	4.5093		1.8051	1.8051
H10	3.9949	2.6217	2.5804	2.0798	1.1004	4.6555	4.1938	4.5535	1.8051		1.7805
H11	3.9949	2.6217	2.5804	2.0798	1.1004	4.6555	4.5535	4.1938	1.8051	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.179	C1	C2	O4	111.195
C2	C1	H6	109.549	C2	C1	H7	110.191
C2	C1	H8	110.191	C2	O4	C5	114.399
O3	C2	O4	122.625	O4	C5	H9	106.131
O4	C5	H10	110.790	O4	C5	H11	110.790
H6	C1	H7	109.970	H6	C1	H8	109.970
H7	C1	H8	106.939	H9	C5	H10	110.576
H9	C5	H11	110.576	H10	C5	H11	107.999

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

using model chemistry: SVWN/TZVP

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	-0.518
2	C	0.209
3	O	-0.286
4	O	-0.167
5	C	-0.346
6	H	0.196
7	H	0.189
8	H	0.189
9	H	0.173
10	H	0.180
11	H	0.180

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

using model chemistry: SVWN/TZVP

States and conformations

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