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	hartrees
Energy at 0K	-268.374470
Energy at 298.15K	-268.381015
Nuclear repulsion energy	178.837951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3082	3075	25.51
2	A	3079	3071	10.52
3	A	3044	3036	31.24
4	A	3032	3024	11.69
5	A	2978	2970	33.16
6	A	2977	2969	4.03
7	A	1735	1731	212.23
8	A	1477	1473	8.66
9	A	1461	1457	10.74
10	A	1457	1454	7.81
11	A	1456	1452	16.04
12	A	1436	1433	7.97
13	A	1367	1364	30.43
14	A	1195	1192	284.25
15	A	1177	1174	1.08
16	A	1141	1138	0.57
17	A	1039	1036	6.90
18	A	1014	1011	100.44
19	A	944	942	3.76
20	A	810	808	22.88
21	A	620	619	3.32
22	A	584	582	4.37
23	A	409	408	5.37
24	A	272	271	10.89
25	A	177	176	6.55
26	A	117	117	0.34
27	A	36	36	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.813	-0.527	0.003
C2	-0.469	0.184	-0.008
O3	-0.297	1.388	-0.001
O4	0.556	-0.731	-0.011
C5	1.896	-0.160	0.007
H6	-2.611	0.197	-0.189
H7	-1.840	-1.329	-0.748
H8	-1.980	-0.994	0.985
H9	2.573	-1.020	0.002
H10	2.058	0.468	-0.878
H11	2.045	0.447	0.909

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5210	2.4428	2.3777	3.7271	1.0948	1.0981	1.1003	4.4137	4.0933	4.0807
C2	1.5210		1.2163	1.3736	2.3896	2.1499	2.1713	2.1582	3.2712	2.6879	2.6881
O3	2.4428	1.2163		2.2841	2.6842	2.6090	3.2120	3.0788	3.7461	2.6765	2.6824
O4	2.3777	1.3736	2.2841		1.4567	3.3048	2.5765	2.7372	2.0378	2.1091	2.1094
C5	3.7271	2.3896	2.6842	1.4567		4.5252	3.9859	4.0838	1.0942	1.0975	1.0976
H6	1.0948	2.1499	2.6090	3.3048	4.5252		1.7988	1.7876	5.3283	4.7275	4.7897
H7	1.0981	2.1713	3.2120	2.5765	3.9859	1.7988		1.7704	4.4865	4.2939	4.5808
H8	1.1003	2.1582	3.0788	2.7372	4.0838	1.7876	1.7704		4.6583	4.6819	4.2758
H9	4.4137	3.2712	3.7461	2.0378	1.0942	5.3283	4.4865	4.6583		1.8037	1.8036
H10	4.0933	2.6879	2.6765	2.1091	1.0975	4.7275	4.2939	4.6819	1.8037		1.7875
H11	4.0807	2.6881	2.6824	2.1094	1.0976	4.7897	4.5808	4.2758	1.8036	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.997	C1	C2	O4	110.356
C2	C1	H6	109.468	C2	C1	H7	110.967
C2	C1	H8	109.798	C2	O4	C5	115.160
O3	C2	O4	123.643	O4	C5	H9	105.156
O4	C5	H10	110.541	O4	C5	H11	110.555
H6	C1	H7	110.232	H6	C1	H8	109.053
H7	C1	H8	107.279	H9	C5	H10	110.768
H9	C5	H11	110.745	H10	C5	H11	109.043

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

using model chemistry: BLYP/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	-0.647
2	C	0.357
3	O	-0.312
4	O	-0.279
5	C	-0.421
6	H	0.225
7	H	0.222
8	H	0.225
9	H	0.207
10	H	0.211
11	H	0.210

	x	y	z	Total
	0.422	-1.652	0.055	1.705
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	121.553
(<r²>)^1/2	11.025

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

using model chemistry: BLYP/6-311G*

States and conformations

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