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	hartrees
Energy at 0K	-268.351449
Energy at 298.15K	-268.358139
Nuclear repulsion energy	181.380301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3060	10.34
2	A'	3175	3057	18.03
3	A'	3064	2950	6.48
4	A'	3062	2947	27.59
5	A'	1838	1770	253.49
6	A'	1514	1457	9.84
7	A'	1486	1430	24.48
8	A'	1481	1426	14.33
9	A'	1403	1351	69.48
10	A'	1282	1234	325.89
11	A'	1219	1173	0.91
12	A'	1090	1050	68.36
13	A'	994	957	1.72
14	A'	872	839	19.79
15	A'	651	627	5.74
16	A'	423	407	5.96
17	A'	283	273	12.20
18	A"	3139	3022	27.00
19	A"	3131	3014	7.27
20	A"	1498	1443	10.50
21	A"	1486	1431	9.73
22	A"	1184	1140	0.64
23	A"	1069	1029	8.27
24	A"	610	587	5.30
25	A"	182	175	7.06
26	A"	129	124	0.26
27	A"	30	29	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	1.131	1.484	0.000
C2	0.000	0.492	0.000
O3	-1.173	0.761	0.000
O4	0.472	-0.770	0.000
C5	-0.524	-1.795	0.000
H6	0.729	2.495	0.000
H7	1.762	1.335	0.879
H8	1.762	1.335	-0.879
H9	0.023	-2.736	0.000
H10	-1.155	-1.719	0.888
H11	-1.155	-1.719	-0.888

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5036	2.4140	2.3484	3.6725	1.0882	1.0927	1.0927	4.3623	4.0337	4.0337
C2	1.5036		1.2029	1.3481	2.3465	2.1314	2.1419	2.1419	3.2281	2.6484	2.6484
O3	2.4140	1.2029		2.2470	2.6365	2.5740	3.1169	3.1169	3.6950	2.6343	2.6343
O4	2.3484	1.3481	2.2470		1.4289	3.2757	2.6212	2.6212	2.0159	2.0820	2.0820
C5	3.6725	2.3465	2.6365	1.4289		4.4694	3.9744	3.9744	1.0882	1.0915	1.0915
H6	1.0882	2.1314	2.5740	3.2757	4.4694		1.7848	1.7848	5.2783	4.7011	4.7011
H7	1.0927	2.1419	3.1169	2.6212	3.9744	1.7848		1.7587	4.5132	4.2234	4.5782
H8	1.0927	2.1419	3.1169	2.6212	3.9744	1.7848	1.7587		4.5132	4.5782	4.2234
H9	4.3623	3.2281	3.6950	2.0159	1.0882	5.2783	4.5132	4.5132		1.7908	1.7908
H10	4.0337	2.6484	2.6343	2.0820	1.0915	4.7011	4.2234	4.5782	1.7908		1.7754
H11	4.0337	2.6484	2.6343	2.0820	1.0915	4.7011	4.5782	4.2234	1.7908	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.871	C1	C2	O4	110.752
C2	C1	H6	109.602	C2	C1	H7	110.169
C2	C1	H8	110.169	C2	O4	C5	115.310
O3	C2	O4	123.377	O4	C5	H9	105.631
O4	C5	H10	110.686	O4	C5	H11	110.686
H6	C1	H7	109.848	H6	C1	H8	109.848
H7	C1	H8	107.173	H9	C5	H10	110.490
H9	C5	H11	110.490	H10	C5	H11	108.842

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

using model chemistry: B3PW91/6-311G*

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	-0.723
2	C	0.409
3	O	-0.355
4	O	-0.302
5	C	-0.476
6	H	0.253
7	H	0.250
8	H	0.250
9	H	0.228
10	H	0.233
11	H	0.233

	x	y	z	Total
	1.503	-0.984	0.000	1.797
CHELPG
AIM
ESP

<r²>	118.268
(<r²>)^1/2	10.875

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

using model chemistry: B3PW91/6-311G*

States and conformations

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