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	hartrees
Energy at 0K	-268.324699
Energy at 298.15K	-268.331433
Nuclear repulsion energy	181.503046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3064	4.78
2	A'	3206	3050	15.01
3	A'	3095	2945	2.27
4	A'	3088	2938	27.29
5	A'	1872	1782	233.92
6	A'	1514	1441	7.91
7	A'	1491	1418	31.57
8	A'	1483	1411	11.11
9	A'	1412	1343	87.05
10	A'	1312	1249	306.09
11	A'	1219	1160	1.12
12	A'	1110	1056	53.88
13	A'	1001	953	1.23
14	A'	884	841	15.82
15	A'	655	623	6.70
16	A'	424	404	6.44
17	A'	286	272	12.91
18	A"	3173	3019	7.47
19	A"	3172	3018	16.22
20	A"	1500	1427	8.33
21	A"	1490	1418	7.71
22	A"	1187	1129	0.76
23	A"	1070	1018	9.51
24	A"	609	580	5.68
25	A"	183	175	6.94
26	A"	122	116	0.18
27	A"	53	50	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.121	1.490	0.000
C2	0.000	0.489	0.000
O3	-1.179	0.749	0.000
O4	0.480	-0.768	0.000
C5	-0.514	-1.791	0.000
H6	0.707	2.496	0.000
H7	1.751	1.345	0.880
H8	1.751	1.345	-0.880
H9	0.030	-2.734	0.000
H10	-1.146	-1.715	0.886
H11	-1.146	-1.715	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5027	2.4158	2.3474	3.6654	1.0876	1.0920	1.0920	4.3624	4.0246	4.0246
C2	1.5027		1.2069	1.3459	2.3369	2.1279	2.1383	2.1383	3.2228	2.6377	2.6377
O3	2.4158	1.2069		2.2480	2.6252	2.5707	3.1165	3.1165	3.6862	2.6186	2.6186
O4	2.3474	1.3459	2.2480		1.4260	3.2721	2.6179	2.6179	2.0164	2.0803	2.0803
C5	3.6654	2.3369	2.6252	1.4260		4.4572	3.9667	3.9667	1.0884	1.0915	1.0915
H6	1.0876	2.1279	2.5707	3.2721	4.4572		1.7860	1.7860	5.2733	4.6854	4.6854
H7	1.0920	2.1383	3.1165	2.6179	3.9667	1.7860		1.7593	4.5133	4.2139	4.5690
H8	1.0920	2.1383	3.1165	2.6179	3.9667	1.7860	1.7593		4.5133	4.5690	4.2139
H9	4.3624	3.2228	3.6862	2.0164	1.0884	5.2733	4.5133	4.5133		1.7906	1.7906
H10	4.0246	2.6377	2.6186	2.0803	1.0915	4.6854	4.2139	4.5690	1.7906		1.7726
H11	4.0246	2.6377	2.6186	2.0803	1.0915	4.6854	4.5690	4.2139	1.7906	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.794	C1	C2	O4	110.871
C2	C1	H6	109.423	C2	C1	H7	109.988
C2	C1	H8	109.988	C2	O4	C5	114.905
O3	C2	O4	123.335	O4	C5	H9	105.848
O4	C5	H10	110.746	O4	C5	H11	110.746
H6	C1	H7	110.047	H6	C1	H8	110.047
H7	C1	H8	107.323	H9	C5	H10	110.457
H9	C5	H11	110.457	H10	C5	H11	108.583

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

using model chemistry: mPW1PW91/6-31G**

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	-0.468
2	C	0.597
3	O	-0.476
4	O	-0.460
5	C	-0.155
6	H	0.170
7	H	0.170
8	H	0.170
9	H	0.145
10	H	0.154
11	H	0.154

	x	y	z	Total
	1.531	-0.934	0.000	1.794
CHELPG
AIM
ESP

<r²>	117.792
(<r²>)^1/2	10.853

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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