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	hartrees
Energy at 0K	-268.350105
Energy at 298.15K	-268.356757
Nuclear repulsion energy	182.388139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3063	6.59
2	A'	3181	3054	16.27
3	A'	3073	2950	2.62
4	A'	3064	2942	27.23
5	A'	1847	1773	253.63
6	A'	1497	1437	7.89
7	A'	1470	1411	30.86
8	A'	1464	1406	17.51
9	A'	1390	1335	82.89
10	A'	1286	1235	311.42
11	A'	1205	1157	1.33
12	A'	1091	1047	64.00
13	A'	990	950	1.72
14	A'	876	841	19.01
15	A'	652	626	6.47
16	A'	419	403	6.12
17	A'	280	269	12.48
18	A"	3144	3019	5.86
19	A"	3140	3015	22.77
20	A"	1475	1416	11.00
21	A"	1470	1411	8.25
22	A"	1174	1127	0.89
23	A"	1059	1017	7.65
24	A"	607	582	5.25
25	A"	181	174	7.04
26	A"	92	88	0.06
27	A"	45	43	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.118	1.489	0.000
C2	0.000	0.490	0.000
O3	-1.174	0.745	0.000
O4	0.480	-0.766	0.000
C5	-0.515	-1.789	0.000
H6	0.705	2.494	0.000
H7	1.746	1.342	0.879
H8	1.746	1.342	-0.879
H9	0.029	-2.730	0.000
H10	-1.145	-1.711	0.886
H11	-1.145	-1.711	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4992	2.4093	2.3436	3.6627	1.0858	1.0902	1.0902	4.3573	4.0183	4.0183
C2	1.4992		1.2014	1.3446	2.3370	2.1237	2.1322	2.1322	3.2200	2.6345	2.6345
O3	2.4093	1.2014		2.2404	2.6190	2.5663	3.1071	3.1071	3.6773	2.6111	2.6111
O4	2.3436	1.3446	2.2404		1.4274	3.2672	2.6111	2.6111	2.0150	2.0783	2.0783
C5	3.6627	2.3370	2.6190	1.4274		4.4533	3.9610	3.9610	1.0862	1.0899	1.0899
H6	1.0858	2.1237	2.5663	3.2672	4.4533		1.7840	1.7840	5.2668	4.6780	4.6780
H7	1.0902	2.1322	3.1071	2.6111	3.9610	1.7840		1.7573	4.5055	4.2047	4.5599
H8	1.0902	2.1322	3.1071	2.6111	3.9610	1.7840	1.7573		4.5055	4.5599	4.2047
H9	4.3573	3.2200	3.6773	2.0150	1.0862	5.2668	4.5055	4.5055		1.7892	1.7892
H10	4.0183	2.6345	2.6111	2.0783	1.0899	4.6780	4.2047	4.5599	1.7892		1.7713
H11	4.0183	2.6345	2.6111	2.0783	1.0899	4.6780	4.5599	4.2047	1.7892	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.940	C1	C2	O4	110.882
C2	C1	H6	109.445	C2	C1	H7	109.853
C2	C1	H8	109.853	C2	O4	C5	114.894
O3	C2	O4	123.178	O4	C5	H9	105.770
O4	C5	H10	110.576	O4	C5	H11	110.576
H6	C1	H7	110.134	H6	C1	H8	110.134
H7	C1	H8	107.399	H9	C5	H10	110.608
H9	C5	H11	110.608	H10	C5	H11	108.696

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

using model chemistry: B1B95/6-311G**

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	-0.341
2	C	0.312
3	O	-0.348
4	O	-0.314
5	C	-0.165
6	H	0.152
7	H	0.150
8	H	0.150
9	H	0.130
10	H	0.137
11	H	0.137

	x	y	z	Total
	1.500	-0.931	0.000	1.765
CHELPG
AIM
ESP

	x	y	z
x	6.102	0.398	0.000
y	0.398	6.860	0.000
z	0.000	0.000	4.543

<r²>	118.777
(<r²>)^1/2	10.898

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

using model chemistry: B1B95/6-311G**

States and conformations

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