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	hartrees
Energy at 0K	-266.937391
Energy at 298.15K	-266.944473
Nuclear repulsion energy	183.799713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	2991	15.62
2	A'	3289	2989	20.95
3	A'	3198	2906	39.03
4	A'	3186	2895	4.00
5	A'	1976	1796	367.07
6	A'	1625	1476	7.52
7	A'	1613	1466	28.95
8	A'	1587	1442	14.04
9	A'	1536	1396	79.25
10	A'	1413	1284	424.23
11	A'	1329	1207	5.44
12	A'	1192	1083	80.85
13	A'	1071	973	4.44
14	A'	944	858	18.04
15	A'	696	632	10.96
16	A'	455	414	7.67
17	A'	303	276	14.06
18	A"	3271	2972	28.75
19	A"	3246	2949	10.91
20	A"	1613	1466	8.18
21	A"	1597	1451	6.58
22	A"	1291	1173	3.37
23	A"	1173	1066	9.39
24	A"	672	610	11.91
25	A"	189	172	5.21
26	A"	161	146	2.87
27	A"	87	79	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.130	1.475	0.000
C2	0.000	0.485	0.000
O3	-1.148	0.767	0.000
O4	0.443	-0.759	0.000
C5	-0.520	-1.793	0.000
H6	0.734	2.477	0.000
H7	1.749	1.318	0.874
H8	1.749	1.318	-0.874
H9	0.036	-2.716	0.000
H10	-1.143	-1.732	0.880
H11	-1.143	-1.732	-0.880

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5020	2.3852	2.3370	3.6607	1.0777	1.0823	1.0823	4.3313	4.0280	4.0280
C2	1.5020		1.1820	1.3205	2.3369	2.1224	2.1256	2.1256	3.2017	2.6453	2.6453
O3	2.3852	1.1820		2.2044	2.6363	2.5420	3.0759	3.0759	3.6793	2.6499	2.6499
O4	2.3370	1.3205	2.2044		1.4129	3.2487	2.6052	2.6052	1.9991	2.0581	2.0581
C5	3.6607	2.3369	2.6363	1.4129		4.4500	3.9492	3.9492	1.0778	1.0798	1.0798
H6	1.0777	2.1224	2.5420	3.2487	4.4500		1.7711	1.7711	5.2396	4.6916	4.6916
H7	1.0823	2.1256	3.0759	2.6052	3.9492	1.7711		1.7477	4.4697	4.2039	4.5550
H8	1.0823	2.1256	3.0759	2.6052	3.9492	1.7711	1.7477		4.4697	4.5550	4.2039
H9	4.3313	3.2017	3.6793	1.9991	1.0778	5.2396	4.4697	4.4697		1.7700	1.7700
H10	4.0280	2.6453	2.6499	2.0581	1.0798	4.6916	4.2039	4.5550	1.7700		1.7597
H11	4.0280	2.6453	2.6499	2.0581	1.0798	4.6916	4.5550	4.2039	1.7700	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.986	C1	C2	O4	111.619
C2	C1	H6	109.613	C2	C1	H7	109.601
C2	C1	H8	109.601	C2	O4	C5	117.465
O3	C2	O4	123.396	O4	C5	H9	105.981
O4	C5	H10	110.599	O4	C5	H11	110.599
H6	C1	H7	110.158	H6	C1	H8	110.158
H7	C1	H8	107.683	H9	C5	H10	110.246
H9	C5	H11	110.246	H10	C5	H11	109.142

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.324
2	C	1.003
3	O	-0.873
4	O	-0.758
5	C	0.138
6	H	0.150
7	H	0.144
8	H	0.144
9	H	0.122
10	H	0.126
11	H	0.126

	x	y	z	Total
	1.807	-1.050	0.000	2.090
CHELPG
AIM
ESP

	x	y	z
x	6.350	0.319	0.000
y	0.319	6.916	0.000
z	0.000	0.000	4.969

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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