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	hartrees
Energy at 0K	-266.707347
Energy at 298.15K	-266.714327
Nuclear repulsion energy	180.599242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3039	16.62
2	A'	3338	3013	7.95
3	A'	3244	2929	24.37
4	A'	3222	2909	2.65
5	A'	1899	1714	282.04
6	A'	1660	1499	8.03
7	A'	1627	1469	23.57
8	A'	1624	1466	17.47
9	A'	1579	1425	38.76
10	A'	1424	1286	459.57
11	A'	1321	1193	0.67
12	A'	1190	1074	81.07
13	A'	1075	971	23.94
14	A'	905	817	18.06
15	A'	690	623	15.67
16	A'	446	402	7.69
17	A'	281	254	19.08
18	A"	3332	3009	25.34
19	A"	3293	2973	5.92
20	A"	1650	1490	8.88
21	A"	1631	1473	10.58
22	A"	1281	1157	2.74
23	A"	1202	1085	16.27
24	A"	653	590	20.36
25	A"	186	168	15.86
26	A"	129	116	0.34
27	A"	101	91	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	1.115	1.505	0.000
C2	0.000	0.513	0.000
O3	-1.184	0.778	0.000
O4	0.453	-0.756	0.000
C5	-0.488	-1.854	0.000
H6	0.713	2.505	0.000
H7	1.737	1.357	0.873
H8	1.737	1.357	-0.873
H9	0.117	-2.743	0.000
H10	-1.109	-1.811	0.881
H11	-1.109	-1.811	-0.881

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4923	2.4110	2.3561	3.7221	1.0778	1.0821	1.0821	4.3632	4.0886	4.0886
C2	1.4923		1.2130	1.3477	2.4172	2.1156	2.1192	2.1192	3.2578	2.7216	2.7216
O3	2.4110	1.2130		2.2431	2.7224	2.5653	3.1029	3.1029	3.7530	2.7358	2.7358
O4	2.3561	1.3477	2.2431		1.4461	3.2716	2.6222	2.6222	2.0146	2.0801	2.0801
C5	3.7221	2.4172	2.7224	1.4461		4.5217	4.0030	4.0030	1.0749	1.0784	1.0784
H6	1.0778	2.1156	2.5653	3.2716	4.5217		1.7690	1.7690	5.2813	4.7669	4.7669
H7	1.0821	2.1192	3.1029	2.6222	4.0030	1.7690		1.7460	4.4935	4.2582	4.6053
H8	1.0821	2.1192	3.1029	2.6222	4.0030	1.7690	1.7460		4.4935	4.6053	4.2582
H9	4.3632	3.2578	3.7530	2.0146	1.0749	5.2813	4.4935	4.4935		1.7736	1.7736
H10	4.0886	2.7216	2.7358	2.0801	1.0784	4.7669	4.2582	4.6053	1.7736		1.7620
H11	4.0886	2.7216	2.7358	2.0801	1.0784	4.7669	4.6053	4.2582	1.7736	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.740	C1	C2	O4	112.023
C2	C1	H6	109.757	C2	C1	H7	109.783
C2	C1	H8	109.783	C2	O4	C5	119.772
O3	C2	O4	122.238	O4	C5	H9	105.141
O4	C5	H10	110.120	O4	C5	H11	110.120
H6	C1	H7	109.965	H6	C1	H8	109.965
H7	C1	H8	107.557	H9	C5	H10	110.911
H9	C5	H11	110.911	H10	C5	H11	109.568

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

using model chemistry: HF/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	CHELPG
1	C	-0.510	-0.486
2	C	0.748	0.132
3	O	-0.567	0.134
4	O	-0.715	0.134
5	C	-0.122	0.023
6	H	0.204	0.023
7	H	0.204	0.209
8	H	0.204	-0.653
9	H	0.188	-0.712
10	H	0.184	1.120
11	H	0.184	0.076

	x	y	z	Total
	1.759	-1.158	0.000	2.106
CHELPG	-3.369	-4.672	0.000	5.760
AIM
ESP

	x	y	z
x	4.705	0.046	0.000
y	0.046	6.529	0.000
z	0.000	0.000	3.818

<r²>	120.657
(<r²>)^1/2	10.984

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

using model chemistry: HF/6-31G

States and conformations

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