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	hartrees
Energy at 0K	-267.648923
Energy at 298.15K	-267.655821
HF Energy	-266.844461
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3059	7.97
2	A'	3258	3054	17.87
3	A'	3142	2946	7.15
4	A'	3140	2944	23.20
5	A'	1902	1783	220.25
6	A'	1562	1465	6.05
7	A'	1538	1442	13.82
8	A'	1531	1435	9.94
9	A'	1464	1372	67.90
10	A'	1346	1262	345.07
11	A'	1249	1171	2.79
12	A'	1132	1061	59.47
13	A'	1027	963	2.77
14	A'	893	837	19.31
15	A'	661	620	9.35
16	A'	433	406	6.56
17	A'	295	276	12.12
18	A"	3230	3028	24.73
19	A"	3224	3023	6.15
20	A"	1551	1454	4.41
21	A"	1539	1443	5.78
22	A"	1214	1138	2.54
23	A"	1103	1034	5.93
24	A"	614	575	8.95
25	A"	182	171	6.60
26	A"	155	145	0.91
27	A"	83	78	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.123	1.495	0.000
C2	0.000	0.491	0.000
O3	-1.181	0.751	0.000
O4	0.485	-0.771	0.000
C5	-0.518	-1.796	0.000
H6	0.707	2.498	0.000
H7	1.747	1.347	0.880
H8	1.747	1.347	-0.880
H9	0.027	-2.734	0.000
H10	-1.145	-1.718	0.886
H11	-1.145	-1.718	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5065	2.4214	2.3542	3.6775	1.0851	1.0888	1.0888	4.3690	4.0308	4.0308
C2	1.5065		1.2094	1.3520	2.3447	2.1278	2.1349	2.1349	3.2251	2.6404	2.6404
O3	2.4214	1.2094		2.2567	2.6313	2.5727	3.1149	3.1149	3.6882	2.6225	2.6225
O4	2.3542	1.3520	2.2567		1.4344	3.2762	2.6173	2.6173	2.0159	2.0826	2.0826
C5	3.6775	2.3447	2.6313	1.4344		4.4650	3.9724	3.9724	1.0852	1.0878	1.0878
H6	1.0851	2.1278	2.5727	3.2762	4.4650		1.7830	1.7830	5.2758	4.6885	4.6885
H7	1.0888	2.1349	3.1149	2.6173	3.9724	1.7830		1.7596	4.5150	4.2130	4.5681
H8	1.0888	2.1349	3.1149	2.6173	3.9724	1.7830	1.7596		4.5150	4.5681	4.2130
H9	4.3690	3.2251	3.6882	2.0159	1.0852	5.2758	4.5150	4.5150		1.7863	1.7863
H10	4.0308	2.6404	2.6225	2.0826	1.0878	4.6885	4.2130	4.5681	1.7863		1.7717
H11	4.0308	2.6404	2.6225	2.0826	1.0878	4.6885	4.5681	4.2130	1.7863	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.786	C1	C2	O4	110.775
C2	C1	H6	109.298	C2	C1	H7	109.646
C2	C1	H8	109.646	C2	O4	C5	114.563
O3	C2	O4	123.440	O4	C5	H9	105.442
O4	C5	H10	110.575	O4	C5	H11	110.575
H6	C1	H7	110.207	H6	C1	H8	110.207
H7	C1	H8	107.819	H9	C5	H10	110.586
H9	C5	H11	110.586	H10	C5	H11	109.048

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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