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	hartrees
Energy at 0K	-304.837718
Energy at 298.15K
HF Energy	-304.163233
Nuclear repulsion energy	238.488103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3059
2	A'	3115	3021
3	A'	3057	2965
4	A'	3052	2959
5	A'	3044	2952
6	A'	1675	1624
7	A'	1591	1543
8	A'	1578	1530
9	A'	1547	1500
10	A'	1476	1431
11	A'	1450	1406
12	A'	1419	1376
13	A'	1224	1187
14	A'	1146	1111
15	A'	1050	1018
16	A'	1007	976
17	A'	899	872
18	A'	809	785
19	A'	610	591
20	A'	400	388
21	A'	349	339
22	A'	182	177
23	A"	3129	3034
24	A"	3123	3029
25	A"	3090	2996
26	A"	1567	1520
27	A"	1558	1511
28	A"	1316	1277
29	A"	1200	1164
30	A"	1103	1070
31	A"	846	821
32	A"	578	560
33	A"	261	253
34	A"	151	146
35	A"	72	70
36	A"	28	27

Atom	x (Å)	y (Å)	z (Å)
C1	-2.349	0.065	0.000
C2	-0.942	-0.534	0.000
O3	0.000	0.506	0.000
O4	-0.622	-1.736	0.000
C5	1.426	0.041	0.000
C6	2.265	1.329	0.000
H7	-3.083	-0.747	0.000
H8	-2.477	0.695	0.890
H9	-2.477	0.695	-0.890
H10	1.607	-0.576	0.890
H11	1.607	-0.576	-0.890
H12	3.337	1.086	0.000
H13	2.030	1.924	-0.892
H14	2.030	1.924	0.892

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5287	2.3895	2.4947	3.7744	4.7836	1.0947	1.0977	1.0977	4.1051	4.1051	5.7761	4.8400	4.8400
C2	1.5287		1.4031	1.2438	2.4366	3.7090	2.1511	2.1580	2.1580	2.7006	2.7006	4.5750	3.9587	3.9587
O3	2.3895	1.4031		2.3265	1.4998	2.4100	3.3275	2.6384	2.6384	2.1324	2.1324	3.3867	2.6322	2.6322
O4	2.4947	1.2438	2.3265		2.7113	4.2108	2.6517	3.1844	3.1844	2.6659	2.6659	4.8614	4.6071	4.6071
C5	3.7744	2.4366	1.4998	2.7113		1.5377	4.5768	4.0558	4.0558	1.0982	1.0982	2.1779	2.1695	2.1695
C6	4.7836	3.7090	2.4100	4.2108	1.5377		5.7366	4.8659	4.8659	2.2037	2.2037	1.0991	1.0972	1.0972
H7	1.0947	2.1511	3.3275	2.6517	4.5768	5.7366		1.7996	1.7996	4.7766	4.7766	6.6758	5.8371	5.8371
H8	1.0977	2.1580	2.6384	3.1844	4.0558	4.8659	1.7996		1.7794	4.2773	4.6328	5.8941	4.9997	4.6716
H9	1.0977	2.1580	2.6384	3.1844	4.0558	4.8659	1.7996	1.7794		4.6328	4.2773	5.8941	4.6716	4.9997
H10	4.1051	2.7006	2.1324	2.6659	1.0982	2.2037	4.7766	4.2773	4.6328		1.7799	2.5584	3.0993	2.5359
H11	4.1051	2.7006	2.1324	2.6659	1.0982	2.2037	4.7766	4.6328	4.2773	1.7799		2.5584	2.5359	3.0993
H12	5.7761	4.5750	3.3867	4.8614	2.1779	1.0991	6.6758	5.8941	5.8941	2.5584	2.5584		1.7901	1.7901
H13	4.8400	3.9587	2.6322	4.6071	2.1695	1.0972	5.8371	4.9997	4.6716	3.0993	2.5359	1.7901		1.7835
H14	4.8400	3.9587	2.6322	4.6071	2.1695	1.0972	5.8371	4.6716	4.9997	2.5359	3.0993	1.7901	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.108	C1	C2	O4	127.970
C2	C1	H7	109.043	C2	C1	H8	109.408
C2	C1	H9	109.408	C2	O3	C5	114.108
O3	C2	O4	122.922	O3	C5	C6	105.008
O3	C5	H10	109.354	O3	C5	H11	109.354
C5	C6	H12	110.265	C5	C6	H13	109.721
C5	C6	H14	109.721	C6	C5	H10	112.384
C6	C5	H11	112.384	H7	C1	H8	110.334
H7	C1	H9	110.334	H8	C1	H9	108.296
H10	C5	H11	108.274	H12	C6	H13	109.189
H12	C6	H14	109.189	H13	C6	H14	108.728

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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