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	hartrees
Energy at 0K	-267.485528
Energy at 298.15K	-267.492507
HF Energy	-266.836035
Nuclear repulsion energy	181.942132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3058	19.52
2	A'	3301	3056	5.17
3	A'	3194	2957	26.74
4	A'	3185	2949	2.17
5	A'	1947	1802	265.47
6	A'	1596	1477	7.08
7	A'	1574	1457	26.10
8	A'	1566	1450	10.01
9	A'	1505	1393	83.57
10	A'	1389	1286	361.38
11	A'	1285	1190	1.72
12	A'	1165	1079	64.98
13	A'	1055	976	3.26
14	A'	921	853	17.96
15	A'	679	628	10.30
16	A'	443	410	7.27
17	A'	300	277	13.51
18	A"	3280	3037	22.44
19	A"	3260	3018	5.40
20	A"	1586	1468	5.78
21	A"	1570	1453	7.59
22	A"	1248	1155	2.19
23	A"	1136	1052	9.30
24	A"	639	592	10.63
25	A"	188	174	6.93
26	A"	161	149	1.41
27	A"	87	80	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.120	1.488	0.000
C2	0.000	0.488	0.000
O3	-1.173	0.751	0.000
O4	0.474	-0.765	0.000
C5	-0.514	-1.793	0.000
H6	0.708	2.491	0.000
H7	1.744	1.340	0.878
H8	1.744	1.340	-0.878
H9	0.037	-2.726	0.000
H10	-1.139	-1.720	0.885
H11	-1.139	-1.720	-0.885

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5011	2.4081	2.3436	3.6653	1.0840	1.0878	1.0878	4.3508	4.0220	4.0220
C2	1.5011		1.2018	1.3398	2.3385	2.1236	2.1305	2.1305	3.2144	2.6375	2.6375
O3	2.4081	1.2018		2.2382	2.6279	2.5616	3.1028	3.1028	3.6814	2.6247	2.6247
O4	2.3436	1.3398	2.2382		1.4260	3.2637	2.6104	2.6104	2.0092	2.0730	2.0730
C5	3.6653	2.3385	2.6279	1.4260		4.4544	3.9606	3.9606	1.0835	1.0857	1.0857
H6	1.0840	2.1236	2.5616	3.2637	4.4544		1.7806	1.7806	5.2594	4.6820	4.6820
H7	1.0878	2.1305	3.1028	2.6104	3.9606	1.7806		1.7563	4.4962	4.2044	4.5590
H8	1.0878	2.1305	3.1028	2.6104	3.9606	1.7806	1.7563		4.4962	4.5590	4.2044
H9	4.3508	3.2144	3.6814	2.0092	1.0835	5.2594	4.4962	4.4962		1.7828	1.7828
H10	4.0220	2.6375	2.6247	2.0730	1.0857	4.6820	4.2044	4.5590	1.7828		1.7693
H11	4.0220	2.6375	2.6247	2.0730	1.0857	4.6820	4.5590	4.2044	1.7828	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.619	C1	C2	O4	111.034
C2	C1	H6	109.404	C2	C1	H7	109.728
C2	C1	H8	109.728	C2	O4	C5	115.416
O3	C2	O4	123.347	O4	C5	H9	105.565
O4	C5	H10	110.513	O4	C5	H11	110.513
H6	C1	H7	110.148	H6	C1	H8	110.148
H7	C1	H8	107.664	H9	C5	H10	110.539
H9	C5	H11	110.539	H10	C5	H11	109.139

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

using model chemistry: CISD/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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All results from a given calculation for CH3COOCH3 (methyl acetate)

using model chemistry: CISD/6-31G*

States and conformations

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