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	hartrees
Energy at 0K	-268.305889
Energy at 298.15K
HF Energy	-268.305889
Nuclear repulsion energy	180.469978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3071	12.09
2	A'	3108	3064	21.16
3	A'	3002	2960	6.42
4	A'	2995	2952	33.17
5	A'	1769	1743	226.67
6	A'	1470	1449	7.96
7	A'	1446	1426	16.12
8	A'	1437	1416	10.82
9	A'	1361	1341	38.86
10	A'	1215	1198	304.89
11	A'	1179	1162	1.44
12	A'	1030	1016	94.49
13	A'	957	943	1.39
14	A'	828	816	21.36
15	A'	629	620	3.72
16	A'	416	410	5.66
17	A'	277	273	11.22
18	A"	3069	3025	33.30
19	A"	3068	3024	7.77
20	A"	1452	1431	10.34
21	A"	1449	1428	5.98
22	A"	1144	1128	0.69
23	A"	1037	1022	5.78
24	A"	588	580	4.39
25	A"	174	171	6.54
26	A"	105	103	0.26
27	A"	33i	32i	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.147	1.487	0.000
C2	0.000	0.499	0.000
O3	-1.179	0.776	0.000
O4	0.476	-0.779	0.000
C5	-0.538	-1.809	0.000
H6	0.748	2.503	0.000
H7	1.776	1.329	0.883
H8	1.776	1.329	-0.883
H9	0.009	-2.754	0.000
H10	-1.169	-1.727	0.892
H11	-1.169	-1.727	-0.892

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5134	2.4314	2.3629	3.7021	1.0914	1.0960	1.0960	4.3907	4.0604	4.0604
C2	1.5134		1.2107	1.3638	2.3706	2.1391	2.1502	2.1502	3.2531	2.6678	2.6678
O3	2.4314	1.2107		2.2706	2.6637	2.5876	3.1331	3.1331	3.7246	2.6569	2.6569
O4	2.3629	1.3638	2.2706		1.4462	3.2932	2.6293	2.6293	2.0295	2.0978	2.0978
C5	3.7021	2.3706	2.6637	1.4462		4.5005	3.9984	3.9984	1.0918	1.0954	1.0954
H6	1.0914	2.1391	2.5876	3.2932	4.5005		1.7930	1.7930	5.3087	4.7291	4.7291
H7	1.0960	2.1502	3.1331	2.6293	3.9984	1.7930		1.7662	4.5356	4.2443	4.6004
H8	1.0960	2.1502	3.1331	2.6293	3.9984	1.7930	1.7662		4.5356	4.6004	4.2443
H9	4.3907	3.2531	3.7246	2.0295	1.0918	5.3087	4.5356	4.5356		1.7999	1.7999
H10	4.0604	2.6678	2.6569	2.0978	1.0954	4.7291	4.2443	4.6004	1.7999		1.7830
H11	4.0604	2.6678	2.6569	2.0978	1.0954	4.7291	4.6004	4.2443	1.7999	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.061	C1	C2	O4	109.801
C2	C1	H6	109.493	C2	C1	H7	110.352
C2	C1	H8	110.352	C2	O4	C5	115.449
O3	C2	O4	124.138	O4	C5	H9	106.374
O4	C5	H10	110.831	O4	C5	H11	110.831
H6	C1	H7	109.541	H6	C1	H8	109.541
H7	C1	H8	107.533	H9	C5	H10	110.187
H9	C5	H11	110.187	H10	C5	H11	108.432

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

using model chemistry: B97D3/6-311G**

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	-0.296
2	C	0.293
3	O	-0.335
4	O	-0.309
5	C	-0.122
6	H	0.137
7	H	0.135
8	H	0.135
9	H	0.119
10	H	0.122
11	H	0.122

	x	y	z	Total
	1.425	-0.989	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	6.361	0.498	0.000
y	0.498	7.279	0.000
z	0.000	0.000	4.665

<r²>	121.058
(<r²>)^1/2	11.003

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

using model chemistry: B97D3/6-311G**

States and conformations

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