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	hartrees
Energy at 0K	-306.856538
Energy at 298.15K
HF Energy	-305.894664
Nuclear repulsion energy	243.755585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3043	6.47
2	A'	3221	2998	24.21
3	A'	3157	2937	16.76
4	A'	3150	2931	2.46
5	A'	3136	2918	17.19
6	A'	1876	1746	292.19
7	A'	1576	1466	3.50
8	A'	1551	1443	3.66
9	A'	1529	1423	12.07
10	A'	1489	1385	3.59
11	A'	1463	1361	81.17
12	A'	1439	1339	7.12
13	A'	1339	1246	442.88
14	A'	1178	1096	14.96
15	A'	1131	1053	79.02
16	A'	1051	978	7.83
17	A'	984	915	7.18
18	A'	897	834	12.57
19	A'	656	610	9.60
20	A'	440	409	0.94
21	A'	380	353	9.19
22	A'	200	186	5.93
23	A"	3234	3009	36.98
24	A"	3231	3007	4.77
25	A"	3205	2982	5.83
26	A"	1537	1430	6.40
27	A"	1527	1420	8.20
28	A"	1328	1236	1.24
29	A"	1219	1134	4.15
30	A"	1097	1021	4.02
31	A"	833	775	0.04
32	A"	615	573	7.51
33	A"	269	250	1.10
34	A"	151	140	5.66
35	A"	69	65	0.09
36	A"	54	51	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-2.311	0.022	0.000
C2	-0.906	-0.519	0.000
O3	0.000	0.480	0.000
O4	-0.605	-1.692	0.000
C5	1.383	0.068	0.000
C6	2.223	1.327	0.000
H7	-3.012	-0.806	0.000
H8	-2.463	0.644	0.880
H9	-2.463	0.644	-0.880
H10	1.566	-0.545	0.881
H11	1.566	-0.545	-0.881
H12	3.280	1.061	0.000
H13	2.017	1.927	-0.884
H14	2.017	1.927	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5051	2.3561	2.4179	3.6940	4.7184	1.0845	1.0883	1.0883	4.0157	4.0157	5.6863	4.8104	4.8104
C2	1.5051		1.3489	1.2110	2.3631	3.6332	2.1251	2.1330	2.1330	2.6244	2.6244	4.4739	3.9122	3.9122
O3	2.3561	1.3489		2.2547	1.4428	2.3789	3.2751	2.6206	2.6206	2.0685	2.0685	3.3305	2.6345	2.6345
O4	2.4179	1.2110	2.2547		2.6547	4.1364	2.5649	3.1116	3.1116	2.6082	2.6082	4.7607	4.5548	4.5548
C5	3.6940	2.3631	1.4428	2.6547		1.5135	4.4807	3.9869	3.9869	1.0889	1.0889	2.1408	2.1535	2.1535
C6	4.7184	3.6332	2.3789	4.1364	1.5135		5.6529	4.8168	4.8168	2.1707	2.1707	1.0894	1.0883	1.0883
H7	1.0845	2.1251	3.2751	2.5649	4.4807	5.6529		1.7825	1.7825	4.6689	4.6689	6.5626	5.7910	5.7910
H8	1.0883	2.1330	2.6206	3.1116	3.9869	4.8168	1.7825		1.7594	4.2005	4.5546	5.8246	4.9825	4.6598
H9	1.0883	2.1330	2.6206	3.1116	3.9869	4.8168	1.7825	1.7594		4.5546	4.2005	5.8246	4.6598	4.9825
H10	4.0157	2.6244	2.0685	2.6082	1.0889	2.1707	4.6689	4.2005	4.5546		1.7624	2.5083	3.0706	2.5122
H11	4.0157	2.6244	2.0685	2.6082	1.0889	2.1707	4.6689	4.5546	4.2005	1.7624		2.5083	2.5122	3.0706
H12	5.6863	4.4739	3.3305	4.7607	2.1408	1.0894	6.5626	5.8246	5.8246	2.5083	2.5083		1.7683	1.7683
H13	4.8104	3.9122	2.6345	4.5548	2.1535	1.0883	5.7910	4.9825	4.6598	3.0706	2.5122	1.7683		1.7686
H14	4.8104	3.9122	2.6345	4.5548	2.1535	1.0883	5.7910	4.6598	4.9825	2.5122	3.0706	1.7683	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.168	C1	C2	O4	125.453
C2	C1	H7	109.225	C2	C1	H8	109.619
C2	C1	H9	109.619	C2	O3	C5	115.612
O3	C2	O4	123.379	O3	C5	C6	107.136
O3	C5	H10	108.772	O3	C5	H11	108.772
C5	C6	H12	109.587	C5	C6	H13	110.665
C5	C6	H14	110.665	C6	C5	H10	112.016
C6	C5	H11	112.016	H7	C1	H8	110.246
H7	C1	H9	110.246	H8	C1	H9	107.869
H10	C5	H11	108.043	H12	C6	H13	108.586
H12	C6	H14	108.586	H13	C6	H14	108.696

All results from a given calculation for C₄H₈O₂ (Ethyl acetate)

using model chemistry: MP3/6-31+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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All results from a given calculation for C4H8O2 (Ethyl acetate)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₈O₂ (Ethyl acetate)