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	hartrees
Energy at 0K	-267.002764
Energy at 298.15K	-267.009376
Nuclear repulsion energy	182.507586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3135	3084	1.03
2	A	3119	3069	8.25
3	A	3097	3046	1.31
4	A	3070	3020	11.83
5	A	3011	2962	0.13
6	A	2992	2943	21.69
7	A	1830	1800	192.76
8	A	1443	1419	9.15
9	A	1429	1406	70.12
10	A	1417	1394	12.29
11	A	1415	1392	11.81
12	A	1403	1380	18.97
13	A	1343	1321	117.01
14	A	1273	1252	180.34
15	A	1159	1140	1.68
16	A	1136	1117	0.06
17	A	1092	1074	31.10
18	A	1016	1000	12.74
19	A	974	958	0.91
20	A	868	854	12.32
21	A	648	637	5.61
22	A	592	583	2.86
23	A	415	408	6.64
24	A	289	284	13.55
25	A	193	190	6.62
26	A	100	99	0.34
27	A	38	38	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	1.788	-0.493	0.004
C2	0.453	0.166	-0.015
O3	0.247	1.361	-0.002
O4	-0.540	-0.742	-0.018
C5	-1.833	-0.164	0.012
H6	2.521	0.156	-0.493
H7	2.110	-0.627	1.051
H8	1.756	-1.484	-0.470
H9	-2.545	-0.999	-0.006
H10	-1.969	0.446	0.921
H11	-1.985	0.498	-0.858

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4896	2.4111	2.3413	3.6360	1.0983	1.1031	1.0992	4.3632	3.9795	3.9948
C2	1.4896		1.2129	1.3451	2.3091	2.1234	2.1240	2.1516	3.2165	2.6108	2.6000
O3	2.4111	1.2129		2.2460	2.5794	2.6202	2.9205	3.2547	3.6568	2.5690	2.5417
O4	2.3413	1.3451	2.2460		1.4169	3.2253	2.8593	2.4545	2.0222	2.0819	2.0811
C5	3.6360	2.3091	2.5794	1.4169		4.3949	4.1037	3.8541	1.0983	1.1031	1.1029
H6	1.0983	2.1234	2.6202	3.2253	4.3949		1.7794	1.8103	5.2196	4.7164	4.5335
H7	1.1031	2.1240	2.9205	2.8593	4.1037	1.7794		1.7813	4.7884	4.2195	4.6554
H8	1.0992	2.1516	3.2547	2.4545	3.8541	1.8103	1.7813		4.3534	4.4195	4.2509
H9	4.3632	3.2165	3.6568	2.0222	1.0983	5.2196	4.7884	4.3534		1.8110	1.8114
H10	3.9795	2.6108	2.5690	2.0819	1.1031	4.7164	4.2195	4.4195	1.8110		1.7793
H11	3.9948	2.6000	2.5417	2.0811	1.1029	4.5335	4.6554	4.2509	1.8114	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.987	C1	C2	O4	111.269
C2	C1	H6	109.342	C2	C1	H7	109.107
C2	C1	H8	111.537	C2	O4	C5	113.424
O3	C2	O4	122.728	O4	C5	H9	106.342
O4	C5	H10	110.801	O4	C5	H11	110.742
H6	C1	H7	107.859	H6	C1	H8	110.932
H7	C1	H8	107.967	H9	C5	H10	110.706
H9	C5	H11	110.758	H10	C5	H11	107.532

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	-0.506
2	C	0.488
3	O	-0.410
4	O	-0.362
5	C	-0.231
6	H	0.181
7	H	0.187
8	H	0.171
9	H	0.153
10	H	0.164
11	H	0.166

	x	y	z	Total
	-0.190	-1.668	0.115	1.683
CHELPG
AIM
ESP

	x	y	z
x	7.132	0.061	0.035
y	0.061	5.759	-0.018
z	0.035	-0.018	4.389

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-31G**

States and conformations

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