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	hartrees
Energy at 0K	-266.754496
Energy at 298.15K	-266.761440
Nuclear repulsion energy	179.964636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3049	28.50
2	A'	3365	3028	16.86
3	A'	3255	2930	40.60
4	A'	3236	2912	8.02
5	A'	1864	1677	327.49
6	A'	1648	1483	10.32
7	A'	1622	1460	30.36
8	A'	1613	1451	18.51
9	A'	1570	1413	39.27
10	A'	1409	1268	442.15
11	A'	1313	1182	0.37
12	A'	1184	1065	92.82
13	A'	1068	961	26.62
14	A'	892	803	22.33
15	A'	678	610	17.17
16	A'	439	395	7.44
17	A'	277	249	19.21
18	A"	3354	3018	42.29
19	A"	3322	2989	15.76
20	A"	1641	1477	11.57
21	A"	1628	1465	13.82
22	A"	1277	1149	2.50
23	A"	1203	1082	15.35
24	A"	652	587	20.16
25	A"	184	166	15.42
26	A"	132	118	0.98
27	A"	99	89	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.123	1.511	0.000
C2	0.000	0.515	0.000
O3	-1.189	0.782	0.000
O4	0.453	-0.760	0.000
C5	-0.492	-1.862	0.000
H6	0.724	2.512	0.000
H7	1.743	1.358	0.874
H8	1.743	1.358	-0.874
H9	0.113	-2.751	0.000
H10	-1.113	-1.817	0.882
H11	-1.113	-1.817	-0.882

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5012	2.4243	2.3671	3.7391	1.0779	1.0819	1.0819	4.3800	4.1050	4.1050
C2	1.5012		1.2184	1.3528	2.4267	2.1242	2.1244	2.1244	3.2678	2.7300	2.7300
O3	2.4243	1.2184		2.2523	2.7333	2.5791	3.1131	3.1131	3.7649	2.7451	2.7451
O4	2.3671	1.3528	2.2523		1.4520	3.2827	2.6292	2.6292	2.0204	2.0855	2.0855
C5	3.7391	2.4267	2.7333	1.4520		4.5392	4.0159	4.0159	1.0758	1.0795	1.0795
H6	1.0779	2.1242	2.5791	3.2827	4.5392		1.7697	1.7697	5.2983	4.7843	4.7843
H7	1.0819	2.1244	3.1131	2.6292	4.0159	1.7697		1.7473	4.5067	4.2707	4.6175
H8	1.0819	2.1244	3.1131	2.6292	4.0159	1.7697	1.7473		4.5067	4.6175	4.2707
H9	4.3800	3.2678	3.7649	2.0204	1.0758	5.2983	4.5067	4.5067		1.7757	1.7757
H10	4.1050	2.7300	2.7451	2.0855	1.0795	4.7843	4.2707	4.6175	1.7757		1.7641
H11	4.1050	2.7300	2.7451	2.0855	1.0795	4.7843	4.6175	4.2707	1.7757	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.787	C1	C2	O4	111.974
C2	C1	H6	109.814	C2	C1	H7	109.589
C2	C1	H8	109.589	C2	O4	C5	119.771
O3	C2	O4	122.239	O4	C5	H9	105.147
O4	C5	H10	110.069	O4	C5	H11	110.069
H6	C1	H7	110.054	H6	C1	H8	110.054
H7	C1	H8	107.710	H9	C5	H10	110.949
H9	C5	H11	110.949	H10	C5	H11	109.584

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

using model chemistry: HF/LANL2DZ

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	-0.612
2	C	0.571
3	O	-0.426
4	O	-0.500
5	C	-0.287
6	H	0.214
7	H	0.213
8	H	0.213
9	H	0.202
10	H	0.207
11	H	0.207

	x	y	z	Total
	1.855	-1.210	0.000	2.215
CHELPG
AIM
ESP

	x	y	z
x	4.691	0.058	0.000
y	0.058	6.515	0.000
z	0.000	0.000	3.867

<r²>	121.463
(<r²>)^1/2	11.021

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

using model chemistry: HF/LANL2DZ

States and conformations

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