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	hartrees
Energy at 0K	-268.304077
Energy at 298.15K	-268.310740
Nuclear repulsion energy	180.945026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3069	4.72
2	A'	3189	3062	12.59
3	A'	3075	2952	4.48
4	A'	3071	2948	29.20
5	A'	1824	1752	282.97
6	A'	1498	1438	10.18
7	A'	1474	1415	27.46
8	A'	1469	1411	14.51
9	A'	1399	1343	71.37
10	A'	1290	1238	327.08
11	A'	1207	1159	0.76
12	A'	1089	1046	59.16
13	A'	992	952	1.32
14	A'	869	834	19.73
15	A'	646	620	5.74
16	A'	422	406	5.55
17	A'	280	269	13.60
18	A"	3156	3030	18.14
19	A"	3150	3024	3.50
20	A"	1485	1425	10.66
21	A"	1476	1417	9.48
22	A"	1173	1127	0.80
23	A"	1061	1019	7.30
24	A"	608	584	5.30
25	A"	183	176	8.00
26	A"	126	121	0.33
27	A"	26	25	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.120	1.498	0.000
C2	0.000	0.493	0.000
O3	-1.183	0.754	0.000
O4	0.479	-0.768	0.000
C5	-0.509	-1.806	0.000
H6	0.703	2.505	0.000
H7	1.751	1.354	0.881
H8	1.751	1.354	-0.881
H9	0.049	-2.742	0.000
H10	-1.140	-1.735	0.890
H11	-1.140	-1.735	-0.890

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5041	2.4201	2.3551	3.6832	1.0894	1.0939	1.0939	4.3724	4.0429	4.0429
C2	1.5041		1.2118	1.3495	2.3547	2.1306	2.1415	2.1415	3.2353	2.6560	2.6560
O3	2.4201	1.2118		2.2541	2.6471	2.5737	3.1226	3.1226	3.7066	2.6432	2.6432
O4	2.3551	1.3495	2.2541		1.4325	3.2807	2.6274	2.6274	2.0193	2.0845	2.0845
C5	3.6832	2.3547	2.6471	1.4325		4.4775	3.9842	3.9842	1.0898	1.0929	1.0929
H6	1.0894	2.1306	2.5737	3.2807	4.4775		1.7883	1.7883	5.2867	4.7073	4.7073
H7	1.0939	2.1415	3.1226	2.6274	3.9842	1.7883		1.7627	4.5224	4.2311	4.5868
H8	1.0939	2.1415	3.1226	2.6274	3.9842	1.7883	1.7627		4.5224	4.5868	4.2311
H9	4.3724	3.2353	3.7066	2.0193	1.0898	5.2867	4.5224	4.5224		1.7944	1.7944
H10	4.0429	2.6560	2.6432	2.0845	1.0929	4.7073	4.2311	4.5868	1.7944		1.7794
H11	4.0429	2.6560	2.6432	2.0845	1.0929	4.7073	4.5868	4.2311	1.7944	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.676	C1	C2	O4	111.121
C2	C1	H6	109.432	C2	C1	H7	110.026
C2	C1	H8	110.026	C2	O4	C5	115.616
O3	C2	O4	123.204	O4	C5	H9	105.569
O4	C5	H10	110.540	O4	C5	H11	110.540
H6	C1	H7	109.988	H6	C1	H8	109.988
H7	C1	H8	107.359	H9	C5	H10	110.591
H9	C5	H11	110.591	H10	C5	H11	108.986

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

using model chemistry: B3PW91/6-31+G**

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	-0.553
2	C	0.397
3	O	-0.451
4	O	-0.270
5	C	-0.230
6	H	0.197
7	H	0.196
8	H	0.196
9	H	0.165
10	H	0.177
11	H	0.177

	x	y	z	Total
	1.657	-1.015	0.000	1.943
CHELPG
AIM
ESP

<r²>	118.974
(<r²>)^1/2	10.908

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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