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	hartrees
Energy at 0K	-306.772876
Energy at 298.15K
HF Energy	-305.874369
Nuclear repulsion energy	243.800720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3042	5.53
2	A'	3195	2999	20.40
3	A'	3128	2935	14.91
4	A'	3125	2933	0.50
5	A'	3114	2923	13.10
6	A'	1908	1791	236.67
7	A'	1584	1486	4.21
8	A'	1559	1463	3.13
9	A'	1535	1441	12.27
10	A'	1492	1401	6.54
11	A'	1467	1377	99.05
12	A'	1441	1352	7.00
13	A'	1351	1268	416.17
14	A'	1185	1113	22.26
15	A'	1136	1067	69.43
16	A'	1054	989	5.85
17	A'	988	928	6.47
18	A'	902	847	9.64
19	A'	660	620	10.28
20	A'	440	413	0.88
21	A'	383	360	10.47
22	A'	202	190	5.36
23	A"	3205	3008	30.59
24	A"	3200	3004	4.30
25	A"	3172	2978	9.93
26	A"	1547	1452	5.86
27	A"	1533	1439	8.82
28	A"	1335	1253	0.52
29	A"	1227	1152	5.07
30	A"	1104	1037	7.16
31	A"	839	787	0.35
32	A"	617	579	7.42
33	A"	276	259	1.07
34	A"	155	146	4.96
35	A"	89	83	0.23
36	A"	72	68	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.027	0.000
C2	-0.905	-0.517	0.000
O3	0.000	0.483	0.000
O4	-0.604	-1.687	0.000
C5	1.379	0.062	0.000
C6	2.224	1.319	0.000
H7	-3.015	-0.803	0.000
H8	-2.463	0.653	0.883
H9	-2.463	0.653	-0.883
H10	1.562	-0.557	0.883
H11	1.562	-0.557	-0.883
H12	3.286	1.053	0.000
H13	2.016	1.922	-0.887
H14	2.016	1.922	0.887

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5057	2.3539	2.4175	3.6879	4.7140	1.0894	1.0932	1.0932	4.0133	4.0133	5.6883	4.8051	4.8051
C2	1.5057		1.3485	1.2086	2.3557	3.6278	2.1296	2.1388	2.1388	2.6206	2.6206	4.4750	3.9074	3.9074
O3	2.3539	1.3485		2.2530	1.4414	2.3761	3.2780	2.6216	2.6216	2.0739	2.0739	3.3348	2.6312	2.6312
O4	2.4175	1.2086	2.2530		2.6444	4.1277	2.5678	3.1162	3.1162	2.5984	2.5984	4.7584	4.5479	4.5479
C5	3.6879	2.3557	1.4414	2.6444		1.5146	4.4781	3.9854	3.9854	1.0938	1.0938	2.1492	2.1572	2.1572
C6	4.7140	3.6278	2.3761	4.1277	1.5146		5.6528	4.8156	4.8156	2.1760	2.1760	1.0942	1.0930	1.0930
H7	1.0894	2.1296	3.2780	2.5678	4.4781	5.6528		1.7903	1.7903	4.6681	4.6681	6.5686	5.7904	5.7904
H8	1.0932	2.1388	2.6216	3.1162	3.9854	4.8156	1.7903		1.7653	4.2026	4.5585	5.8295	4.9802	4.6551
H9	1.0932	2.1388	2.6216	3.1162	3.9854	4.8156	1.7903	1.7653		4.5585	4.2026	5.8295	4.6551	4.9802
H10	4.0133	2.6206	2.0739	2.5984	1.0938	2.1760	4.6681	4.2026	4.5585		1.7660	2.5183	3.0797	2.5202
H11	4.0133	2.6206	2.0739	2.5984	1.0938	2.1760	4.6681	4.5585	4.2026	1.7660		2.5183	2.5202	3.0797
H12	5.6883	4.4750	3.3348	4.7584	2.1492	1.0942	6.5686	5.8295	5.8295	2.5183	2.5183		1.7761	1.7761
H13	4.8051	3.9074	2.6312	4.5479	2.1572	1.0930	5.7904	4.9802	4.6551	3.0797	2.5202	1.7761		1.7743
H14	4.8051	3.9074	2.6312	4.5479	2.1572	1.0930	5.7904	4.6551	4.9802	2.5202	3.0797	1.7761	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.995	C1	C2	O4	125.551
C2	C1	H7	109.237	C2	C1	H8	109.738
C2	C1	H9	109.738	C2	O3	C5	115.168
O3	C2	O4	123.455	O3	C5	C6	106.967
O3	C5	H10	109.008	O3	C5	H11	109.008
C5	C6	H12	109.895	C5	C6	H13	110.594
C5	C6	H14	110.594	C6	C5	H10	112.065
C6	C5	H11	112.065	H7	C1	H8	110.216
H7	C1	H9	110.216	H8	C1	H9	107.679
H10	C5	H11	107.667	H12	C6	H13	108.593
H12	C6	H14	108.593	H13	C6	H14	108.514

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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