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	hartrees
Energy at 0K	-51.240008
Energy at 298.15K	-51.246954
Nuclear repulsion energy	100.410861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3044	25.64
2	A'	3316	3026	15.39
3	A'	3195	2915	39.32
4	A'	3187	2908	7.01
5	A'	1840	1679	312.28
6	A'	1633	1490	8.99
7	A'	1611	1470	28.67
8	A'	1598	1458	18.79
9	A'	1559	1423	37.28
10	A'	1402	1279	446.44
11	A'	1306	1192	0.28
12	A'	1175	1072	93.93
13	A'	1063	970	27.26
14	A'	887	809	21.00
15	A'	670	612	16.56
16	A'	435	397	7.87
17	A'	277	253	18.49
18	A"	3302	3013	38.20
19	A"	3277	2990	15.26
20	A"	1622	1480	9.78
21	A"	1613	1472	11.67
22	A"	1270	1159	3.62
23	A"	1192	1087	11.63
24	A"	639	583	19.69
25	A"	184	168	14.51
26	A"	129	117	1.17
27	A"	90	82	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.132	1.523	0.000
C2	0.000	0.527	0.000
O3	-1.194	0.802	0.000
O4	0.446	-0.758	0.000
C5	-0.518	-1.848	0.000
H6	0.730	2.525	0.000
H7	1.752	1.370	0.876
H8	1.752	1.370	-0.876
H9	0.076	-2.747	0.000
H10	-1.139	-1.794	0.884
H11	-1.139	-1.794	-0.884

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5082	2.4353	2.3818	3.7532	1.0797	1.0837	1.0837	4.3992	4.1161	4.1161
C2	1.5082		1.2252	1.3599	2.4303	2.1278	2.1326	2.1326	3.2749	2.7319	2.7319
O3	2.4353	1.2252		2.2634	2.7342	2.5831	3.1255	3.1255	3.7694	2.7423	2.7423
O4	2.3818	1.3599	2.2634		1.4555	3.2953	2.6458	2.6458	2.0237	2.0903	2.0903
C5	3.7532	2.4303	2.7342	1.4555		4.5476	4.0344	4.0344	1.0782	1.0819	1.0819
H6	1.0797	2.1278	2.5831	3.2953	4.5476		1.7734	1.7734	5.3130	4.7884	4.7884
H7	1.0837	2.1326	3.1255	2.6458	4.0344	1.7734		1.7513	4.5311	4.2860	4.6333
H8	1.0837	2.1326	3.1255	2.6458	4.0344	1.7734	1.7513		4.5311	4.6333	4.2860
H9	4.3992	3.2749	3.7694	2.0237	1.0782	5.3130	4.5311	4.5311		1.7801	1.7801
H10	4.1161	2.7319	2.7423	2.0903	1.0819	4.7884	4.2860	4.6333	1.7801		1.7685
H11	4.1161	2.7319	2.7423	2.0903	1.0819	4.7884	4.6333	4.2860	1.7801	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.669	C1	C2	O4	112.192
C2	C1	H6	109.497	C2	C1	H7	109.645
C2	C1	H8	109.645	C2	O4	C5	119.319
O3	C2	O4	122.139	O4	C5	H9	105.036
O4	C5	H10	110.060	O4	C5	H11	110.060
H6	C1	H7	110.115	H6	C1	H8	110.115
H7	C1	H8	107.801	H9	C5	H10	110.985
H9	C5	H11	110.985	H10	C5	H11	109.634

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

using model chemistry: HF/CEP-121G

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	-0.588
2	C	0.422
3	O	-0.325
4	O	-0.387
5	C	-0.200
6	H	0.194
7	H	0.184
8	H	0.184
9	H	0.174
10	H	0.171
11	H	0.171

	x	y	z	Total
	1.871	-1.182	0.000	2.214
CHELPG
AIM
ESP

	x	y	z
x	5.056	0.006	0.000
y	0.006	6.887	0.000
z	0.000	0.000	4.208

<r²>	101.262
(<r²>)^1/2	10.063

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

using model chemistry: HF/CEP-121G

States and conformations

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