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	hartrees
Energy at 0K	-266.907879
Energy at 298.15K	-266.914958
Nuclear repulsion energy	183.564145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3001	31.34
2	A'	3299	2997	12.03
3	A'	3204	2911	36.79
4	A'	3192	2900	4.51
5	A'	1999	1816	362.65
6	A'	1626	1477	5.99
7	A'	1612	1464	27.41
8	A'	1586	1441	13.32
9	A'	1534	1394	98.75
10	A'	1413	1283	431.68
11	A'	1328	1207	5.64
12	A'	1195	1085	79.87
13	A'	1072	974	5.45
14	A'	948	861	19.36
15	A'	697	633	12.14
16	A'	455	413	8.01
17	A'	304	276	13.68
18	A"	3279	2979	36.07
19	A"	3255	2957	13.21
20	A"	1612	1465	7.10
21	A"	1595	1449	7.51
22	A"	1288	1171	3.62
23	A"	1171	1064	10.22
24	A"	667	606	13.83
25	A"	188	171	6.45
26	A"	159	145	2.26
27	A"	88	80	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.134	1.473	0.000
C2	0.000	0.487	0.000
O3	-1.149	0.768	0.000
O4	0.445	-0.761	0.000
C5	-0.525	-1.793	0.000
H6	0.740	2.479	0.000
H7	1.753	1.313	0.876
H8	1.753	1.313	-0.876
H9	0.029	-2.719	0.000
H10	-1.149	-1.729	0.881
H11	-1.149	-1.729	-0.881

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5028	2.3892	2.3381	3.6632	1.0800	1.0842	1.0842	4.3353	4.0302	4.0302
C2	1.5028		1.1824	1.3250	2.3396	2.1240	2.1264	2.1264	3.2063	2.6472	2.6472
O3	2.3892	1.1824		2.2082	2.6357	2.5475	3.0794	3.0794	3.6806	2.6480	2.6480
O4	2.3381	1.3250	2.2082		1.4158	3.2527	2.6037	2.6037	2.0016	2.0622	2.0622
C5	3.6632	2.3396	2.6357	1.4158		4.4544	3.9497	3.9497	1.0794	1.0818	1.0818
H6	1.0800	2.1240	2.5475	3.2527	4.4544		1.7756	1.7756	5.2457	4.6951	4.6951
H7	1.0842	2.1264	3.0794	2.6037	3.9497	1.7756		1.7515	4.4714	4.2039	4.5563
H8	1.0842	2.1264	3.0794	2.6037	3.9497	1.7756	1.7515		4.4714	4.5563	4.2039
H9	4.3353	3.2063	3.6806	2.0016	1.0794	5.2457	4.4714	4.4714		1.7735	1.7735
H10	4.0302	2.6472	2.6480	2.0622	1.0818	4.6951	4.2039	4.5563	1.7735		1.7629
H11	4.0302	2.6472	2.6480	2.0622	1.0818	4.6951	4.5563	4.2039	1.7735	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.260	C1	C2	O4	111.395
C2	C1	H6	109.559	C2	C1	H7	109.494
C2	C1	H8	109.494	C2	O4	C5	117.181
O3	C2	O4	123.345	O4	C5	H9	105.891
O4	C5	H10	110.603	O4	C5	H11	110.603
H6	C1	H7	110.258	H6	C1	H8	110.258
H7	C1	H8	107.750	H9	C5	H10	110.294
H9	C5	H11	110.294	H10	C5	H11	109.129

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

using model chemistry: HF/6-311G**

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	-0.238
2	C	0.467
3	O	-0.461
4	O	-0.436
5	C	-0.002
6	H	0.127
7	H	0.120
8	H	0.120
9	H	0.100
10	H	0.101
11	H	0.101

	x	y	z	Total
	1.677	-1.058	0.000	1.983
CHELPG
AIM
ESP

	x	y	z
x	5.639	0.216	0.000
y	0.216	6.037	0.000
z	0.000	0.000	4.310

<r²>	118.367
(<r²>)^1/2	10.880

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

using model chemistry: HF/6-311G**

States and conformations

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