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	hartrees
Energy at 0K	-267.610798
Energy at 298.15K	-267.617644
HF Energy	-266.833327
Nuclear repulsion energy	180.432560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3051	24.00
2	A'	3204	3051	0.28
3	A'	3095	2947	26.80
4	A'	3092	2944	1.53
5	A'	1856	1767	210.55
6	A'	1546	1472	7.02
7	A'	1526	1453	14.57
8	A'	1514	1441	14.84
9	A'	1453	1383	61.18
10	A'	1331	1268	320.76
11	A'	1237	1178	2.13
12	A'	1114	1061	65.95
13	A'	1017	969	3.07
14	A'	879	837	17.99
15	A'	655	624	8.45
16	A'	430	410	6.60
17	A'	293	279	12.53
18	A"	3178	3026	22.33
19	A"	3165	3014	5.99
20	A"	1535	1462	5.68
21	A"	1524	1452	7.39
22	A"	1201	1144	1.60
23	A"	1096	1043	7.14
24	A"	609	580	8.36
25	A"	182	173	7.02
26	A"	154	147	0.87
27	A"	77	73	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	1.123	1.499	0.000
C2	0.000	0.492	0.000
O3	-1.187	0.750	0.000
O4	0.490	-0.772	0.000
C5	-0.517	-1.801	0.000
H6	0.702	2.507	0.000
H7	1.752	1.353	0.885
H8	1.752	1.353	-0.885
H9	0.035	-2.743	0.000
H10	-1.146	-1.721	0.891
H11	-1.146	-1.721	-0.891

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5080	2.4285	2.3576	3.6854	1.0919	1.0956	1.0956	4.3792	4.0388	4.0388
C2	1.5080		1.2150	1.3557	2.3511	2.1337	2.1430	2.1430	3.2353	2.6472	2.6472
O3	2.4285	1.2150		2.2645	2.6375	2.5807	3.1282	3.1282	3.7002	2.6270	2.6270
O4	2.3576	1.3557	2.2645		1.4401	3.2858	2.6248	2.6248	2.0228	2.0910	2.0910
C5	3.6854	2.3511	2.6375	1.4401		4.4777	3.9849	3.9849	1.0915	1.0939	1.0939
H6	1.0919	2.1337	2.5807	3.2858	4.4777		1.7934	1.7934	5.2922	4.7000	4.7000
H7	1.0956	2.1430	3.1282	2.6248	3.9849	1.7934		1.7695	4.5282	4.2246	4.5828
H8	1.0956	2.1430	3.1282	2.6248	3.9849	1.7934	1.7695		4.5282	4.5828	4.2246
H9	4.3792	3.2353	3.7002	2.0228	1.0915	5.2922	4.5282	4.5282		1.7982	1.7982
H10	4.0388	2.6472	2.6270	2.0910	1.0939	4.7000	4.2246	4.5828	1.7982		1.7829
H11	4.0388	2.6472	2.6270	2.0910	1.0939	4.7000	4.5828	4.2246	1.7982	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.877	C1	C2	O4	110.713
C2	C1	H6	109.265	C2	C1	H7	109.777
C2	C1	H8	109.777	C2	O4	C5	114.452
O3	C2	O4	123.410	O4	C5	H9	105.243
O4	C5	H10	110.467	O4	C5	H11	110.467
H6	C1	H7	110.142	H6	C1	H8	110.142
H7	C1	H8	107.722	H9	C5	H10	110.733
H9	C5	H11	110.733	H10	C5	H11	109.159

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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