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	hartrees
Energy at 0K	-266.755137
Energy at 298.15K	-266.762083
Nuclear repulsion energy	179.971065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3050	28.22
2	A'	3363	3028	16.29
3	A'	3255	2930	40.30
4	A'	3235	2913	7.73
5	A'	1864	1679	329.62
6	A'	1648	1484	10.38
7	A'	1623	1461	30.58
8	A'	1613	1452	18.75
9	A'	1570	1414	39.60
10	A'	1408	1268	443.30
11	A'	1313	1182	0.32
12	A'	1184	1066	93.22
13	A'	1068	962	26.46
14	A'	892	803	22.36
15	A'	678	611	17.09
16	A'	439	396	7.44
17	A'	277	249	19.19
18	A"	3352	3018	41.55
19	A"	3320	2989	15.16
20	A"	1642	1478	11.68
21	A"	1628	1466	13.98
22	A"	1277	1150	2.49
23	A"	1203	1083	15.50
24	A"	652	587	20.24
25	A"	184	166	15.43
26	A"	131	118	0.96
27	A"	99	90	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.123	1.510	0.000
C2	0.000	0.515	0.000
O3	-1.189	0.782	0.000
O4	0.453	-0.760	0.000
C5	-0.492	-1.861	0.000
H6	0.724	2.512	0.000
H7	1.743	1.358	0.874
H8	1.743	1.358	-0.874
H9	0.112	-2.751	0.000
H10	-1.113	-1.817	0.882
H11	-1.113	-1.817	-0.882

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5011	2.4241	2.3670	3.7389	1.0778	1.0819	1.0819	4.3799	4.1048	4.1048
C2	1.5011		1.2183	1.3528	2.4266	2.1242	2.1244	2.1244	3.2678	2.7298	2.7298
O3	2.4241	1.2183		2.2523	2.7332	2.5791	3.1130	3.1130	3.7647	2.7449	2.7449
O4	2.3670	1.3528	2.2523		1.4519	3.2826	2.6291	2.6291	2.0204	2.0855	2.0855
C5	3.7389	2.4266	2.7332	1.4519		4.5391	4.0157	4.0157	1.0758	1.0795	1.0795
H6	1.0778	2.1242	2.5791	3.2826	4.5391		1.7697	1.7697	5.2982	4.7840	4.7840
H7	1.0819	2.1244	3.1130	2.6291	4.0157	1.7697		1.7472	4.5066	4.2705	4.6173
H8	1.0819	2.1244	3.1130	2.6291	4.0157	1.7697	1.7472		4.5066	4.6173	4.2705
H9	4.3799	3.2678	3.7647	2.0204	1.0758	5.2982	4.5066	4.5066		1.7757	1.7757
H10	4.1048	2.7298	2.7449	2.0855	1.0795	4.7840	4.2705	4.6173	1.7757		1.7641
H11	4.1048	2.7298	2.7449	2.0855	1.0795	4.7840	4.6173	4.2705	1.7757	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.788	C1	C2	O4	111.967
C2	C1	H6	109.816	C2	C1	H7	109.593
C2	C1	H8	109.593	C2	O4	C5	119.761
O3	C2	O4	122.245	O4	C5	H9	105.150
O4	C5	H10	110.068	O4	C5	H11	110.068
H6	C1	H7	110.053	H6	C1	H8	110.053
H7	C1	H8	107.703	H9	C5	H10	110.949
H9	C5	H11	110.949	H10	C5	H11	109.582

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

using model chemistry: HF/SDD

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	-0.638
2	C	0.590
3	O	-0.428
4	O	-0.502
5	C	-0.298
6	H	0.218
7	H	0.217
8	H	0.217
9	H	0.204
10	H	0.210
11	H	0.210

	x	y	z	Total
	1.854	-1.209	0.000	2.213
CHELPG
AIM
ESP

	x	y	z
x	4.691	0.057	0.000
y	0.057	6.515	0.000
z	0.000	0.000	3.871

<r²>	121.448
(<r²>)^1/2	11.020

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

using model chemistry: HF/SDD

States and conformations

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