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	hartrees
Energy at 0K	-268.400098
Energy at 298.15K
HF Energy	-268.400098
Nuclear repulsion energy	182.122898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3057	5.38
2	A'	3189	3046	13.93
3	A'	3086	2947	2.41
4	A'	3072	2934	27.01
5	A'	1847	1764	287.09
6	A'	1499	1432	15.56
7	A'	1490	1423	16.84
8	A'	1474	1408	13.59
9	A'	1407	1344	80.36
10	A'	1303	1244	340.42
11	A'	1227	1172	0.99
12	A'	1103	1053	61.40
13	A'	1001	955	1.82
14	A'	879	839	20.89
15	A'	657	628	5.67
16	A'	435	415	5.80
17	A'	292	279	12.67
18	A"	3160	3018	4.75
19	A"	3150	3008	20.02
20	A"	1495	1428	10.18
21	A"	1480	1413	9.87
22	A"	1181	1128	0.91
23	A"	1068	1020	7.73
24	A"	607	580	6.40
25	A"	183	174	5.77
26	A"	122	116	2.19
27	A"	123i	117i	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.129	1.467	0.000
C2	0.000	0.494	0.000
O3	-1.171	0.771	0.000
O4	0.470	-0.770	0.000
C5	-0.520	-1.788	0.000
H6	0.735	2.480	0.000
H7	1.754	1.316	0.882
H8	1.754	1.316	-0.882
H9	0.013	-2.737	0.000
H10	-1.152	-1.711	0.886
H11	-1.152	-1.711	-0.886

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.4903	2.4033	2.3324	3.6486	1.0872	1.0906	1.0906	4.3494	4.0111	4.0111
C2	1.4903		1.2031	1.3492	2.3406	2.1169	2.1277	2.1277	3.2312	2.6413	2.6413
O3	2.4033	1.2031		2.2509	2.6402	2.5596	3.1027	3.1027	3.7020	2.6357	2.6357
O4	2.3324	1.3492	2.2509		1.4192	3.2609	2.6036	2.6036	2.0188	2.0734	2.0734
C5	3.6486	2.3406	2.6402	1.4192		4.4481	3.9470	3.9470	1.0882	1.0908	1.0908
H6	1.0872	2.1169	2.5596	3.2609	4.4481		1.7802	1.7802	5.2663	4.6807	4.6807
H7	1.0906	2.1277	3.1027	2.6036	3.9470	1.7802		1.7631	4.4981	4.1959	4.5529
H8	1.0906	2.1277	3.1027	2.6036	3.9470	1.7802	1.7631		4.4981	4.5529	4.1959
H9	4.3494	3.2312	3.7020	2.0188	1.0882	5.2663	4.4981	4.4981		1.7866	1.7866
H10	4.0111	2.6413	2.6357	2.0734	1.0908	4.6807	4.1959	4.5529	1.7866		1.7717
H11	4.0111	2.6413	2.6357	2.0734	1.0908	4.6807	4.5529	4.1959	1.7866	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.989	C1	C2	O4	110.355
C2	C1	H6	109.438	C2	C1	H7	110.091
C2	C1	H8	110.091	C2	O4	C5	115.429
O3	C2	O4	123.656	O4	C5	H9	106.506
O4	C5	H10	110.711	O4	C5	H11	110.711
H6	C1	H7	109.666	H6	C1	H8	109.666
H7	C1	H8	107.867	H9	C5	H10	110.154
H9	C5	H11	110.154	H10	C5	H11	108.602

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

using model chemistry: wB97X-D/TZVP

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	-0.399
2	C	0.288
3	O	-0.337
4	O	-0.211
5	C	-0.189
6	H	0.155
7	H	0.146
8	H	0.146
9	H	0.133
10	H	0.134
11	H	0.134

	x	y	z	Total
	1.620	-1.013	0.000	1.910
CHELPG
AIM
ESP

	x	y	z
x	6.485	0.206	0.000
y	0.206	7.013	0.000
z	0.000	0.000	4.944

<r²>	119.487
(<r²>)^1/2	10.931

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

using model chemistry: wB97X-D/TZVP

States and conformations

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