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	hartrees
Energy at 0K	-267.675367
Energy at 298.15K	-267.682144
HF Energy	-266.850267
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3067	16.19
2	A'	3240	3063	6.02
3	A'	3126	2955	32.97
4	A'	3122	2952	2.84
5	A'	1821	1722	262.52
6	A'	1547	1463	8.17
7	A'	1523	1440	14.34
8	A'	1513	1431	9.44
9	A'	1452	1373	48.23
10	A'	1318	1246	344.99
11	A'	1236	1168	1.63
12	A'	1108	1047	71.62
13	A'	1013	958	5.07
14	A'	872	825	22.17
15	A'	649	614	7.80
16	A'	428	405	5.58
17	A'	289	273	12.98
18	A"	3217	3041	21.21
19	A"	3203	3028	6.26
20	A"	1532	1448	6.10
21	A"	1522	1438	7.37
22	A"	1198	1133	2.75
23	A"	1090	1030	3.79
24	A"	607	574	8.25
25	A"	176	166	7.68
26	A"	149	141	1.12
27	A"	47	45	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.119	1.504	0.000
C2	0.000	0.495	0.000
O3	-1.191	0.751	0.000
O4	0.489	-0.770	0.000
C5	-0.511	-1.810	0.000
H6	0.698	2.506	0.000
H7	1.744	1.358	0.881
H8	1.744	1.358	-0.881
H9	0.048	-2.741	0.000
H10	-1.135	-1.732	0.889
H11	-1.135	-1.732	-0.889

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5070	2.4293	2.3603	3.6933	1.0864	1.0900	1.0900	4.3779	4.0425	4.0425
C2	1.5070		1.2178	1.3565	2.3607	2.1284	2.1360	2.1360	3.2359	2.6525	2.6525
O3	2.4293	1.2178		2.2662	2.6497	2.5776	3.1232	3.1232	3.7050	2.6380	2.6380
O4	2.3603	1.3565	2.2662		1.4424	3.2826	2.6235	2.6235	2.0190	2.0858	2.0858
C5	3.6933	2.3607	2.6497	1.4424		4.4816	3.9872	3.9872	1.0858	1.0885	1.0885
H6	1.0864	2.1284	2.5776	3.2826	4.4816		1.7851	1.7851	5.2863	4.7016	4.7016
H7	1.0900	2.1360	3.1232	2.6235	3.9872	1.7851		1.7629	4.5226	4.2230	4.5790
H8	1.0900	2.1360	3.1232	2.6235	3.9872	1.7851	1.7629		4.5226	4.5790	4.2230
H9	4.3779	3.2359	3.7050	2.0190	1.0858	5.2863	4.5226	4.5226		1.7906	1.7906
H10	4.0425	2.6525	2.6380	2.0858	1.0885	4.7016	4.2230	4.5790	1.7906		1.7774
H11	4.0425	2.6525	2.6380	2.0858	1.0885	4.7016	4.5790	4.2230	1.7906	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.803	C1	C2	O4	110.917
C2	C1	H6	109.233	C2	C1	H7	109.622
C2	C1	H8	109.622	C2	O4	C5	114.980
O3	C2	O4	123.279	O4	C5	H9	105.119
O4	C5	H10	110.220	O4	C5	H11	110.220
H6	C1	H7	110.209	H6	C1	H8	110.209
H7	C1	H8	107.928	H9	C5	H10	110.878
H9	C5	H11	110.878	H10	C5	H11	109.465

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

using model chemistry: QCISD/6-31+G**

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

using model chemistry: QCISD/6-31+G**

States and conformations

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