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	hartrees
Energy at 0K	-267.599895
Energy at 298.15K	-267.606787
HF Energy	-266.834198
Nuclear repulsion energy	181.406371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3045	7.97
2	A'	3216	3044	14.17
3	A'	3104	2938	25.47
4	A'	3102	2936	0.78
5	A'	1899	1797	222.87
6	A'	1551	1468	6.93
7	A'	1529	1447	17.02
8	A'	1522	1440	17.30
9	A'	1458	1380	76.18
10	A'	1347	1275	331.79
11	A'	1244	1177	2.11
12	A'	1129	1068	59.27
13	A'	1026	971	2.25
14	A'	892	844	19.35
15	A'	662	627	9.22
16	A'	434	411	6.59
17	A'	295	280	12.72
18	A"	3189	3018	21.22
19	A"	3178	3008	4.88
20	A"	1540	1457	5.96
21	A"	1527	1445	7.78
22	A"	1208	1143	1.60
23	A"	1102	1043	7.65
24	A"	616	583	8.32
25	A"	183	173	6.88
26	A"	159	150	1.18
27	A"	85	80	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.132	1.470	0.000
C2	0.000	0.492	0.000
O3	-1.179	0.768	0.000
O4	0.482	-0.774	0.000
C5	-0.524	-1.784	0.000
H6	0.730	2.486	0.000
H7	1.758	1.318	0.885
H8	1.758	1.318	-0.885
H9	0.002	-2.742	0.000
H10	-1.157	-1.700	0.889
H11	-1.157	-1.700	-0.889

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4956	2.4152	2.3362	3.6514	1.0920	1.0952	1.0952	4.3605	4.0095	4.0095
C2	1.4956		1.2113	1.3550	2.3360	2.1231	2.1348	2.1348	3.2336	2.6331	2.6331
O3	2.4152	1.2113		2.2672	2.6353	2.5682	3.1168	3.1168	3.7032	2.6234	2.6234
O4	2.3362	1.3550	2.2672		1.4260	3.2692	2.6057	2.6057	2.0252	2.0820	2.0820
C5	3.6514	2.3360	2.6353	1.4260		4.4504	3.9521	3.9521	1.0923	1.0945	1.0945
H6	1.0920	2.1231	2.5682	3.2692	4.4504		1.7897	1.7897	5.2777	4.6765	4.6765
H7	1.0952	2.1348	3.1168	2.6057	3.9521	1.7897		1.7709	4.5112	4.1960	4.5558
H8	1.0952	2.1348	3.1168	2.6057	3.9521	1.7897	1.7709		4.5112	4.5558	4.1960
H9	4.3605	3.2336	3.7032	2.0252	1.0923	5.2777	4.5112	4.5112		1.7941	1.7941
H10	4.0095	2.6331	2.6234	2.0820	1.0945	4.6765	4.1960	4.5558	1.7941		1.7781
H11	4.0095	2.6331	2.6234	2.0820	1.0945	4.6765	4.5558	4.1960	1.7941	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.984	C1	C2	O4	109.982
C2	C1	H6	109.270	C2	C1	H7	110.009
C2	C1	H8	110.009	C2	O4	C5	114.249
O3	C2	O4	124.033	O4	C5	H9	106.310
O4	C5	H10	110.693	O4	C5	H11	110.693
H6	C1	H7	109.819	H6	C1	H8	109.819
H7	C1	H8	107.899	H9	C5	H10	110.252
H9	C5	H11	110.252	H10	C5	H11	108.639

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)