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	hartrees
Energy at 0K	-306.386048
Energy at 298.15K
HF Energy	-305.724446
Nuclear repulsion energy	238.399684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3030	9.41
2	A'	3096	2983	27.90
3	A'	3044	2933	11.67
4	A'	3038	2927	3.73
5	A'	3022	2912	18.20
6	A'	1698	1636	157.37
7	A'	1567	1510	4.58
8	A'	1550	1493	4.72
9	A'	1532	1476	19.78
10	A'	1474	1421	6.81
11	A'	1461	1408	23.13
12	A'	1430	1377	1.73
13	A'	1280	1233	374.88
14	A'	1155	1113	4.49
15	A'	1074	1035	124.74
16	A'	1038	1000	4.15
17	A'	931	897	25.87
18	A'	826	796	12.38
19	A'	630	607	9.31
20	A'	421	406	0.73
21	A'	359	346	9.89
22	A'	186	179	5.97
23	A"	3115	3001	44.00
24	A"	3110	2997	6.81
25	A"	3086	2974	6.44
26	A"	1538	1482	5.45
27	A"	1528	1473	9.19
28	A"	1307	1260	0.00
29	A"	1201	1157	5.71
30	A"	1104	1063	6.52
31	A"	840	810	0.34
32	A"	578	557	9.79
33	A"	257	247	1.94
34	A"	147	142	7.75
35	A"	85	82	0.54
36	A"	54	52	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-2.351	0.000	0.000
C2	-0.936	-0.543	0.000
O3	0.000	0.488	0.000
O4	-0.611	-1.747	0.000
C5	1.439	0.086	0.000
C6	2.244	1.387	0.000
H7	-3.057	-0.840	0.000
H8	-2.512	0.627	0.891
H9	-2.512	0.627	-0.891
H10	1.628	-0.531	0.892
H11	1.628	-0.531	-0.892
H12	3.324	1.161	0.000
H13	2.009	1.986	-0.893
H14	2.009	1.986	0.893

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5161	2.4016	2.4658	3.7911	4.8004	1.0975	1.1010	1.1010	4.1130	4.1130	5.7928	4.8738	4.8738
C2	1.5161		1.3925	1.2470	2.4564	3.7199	2.1421	2.1557	2.1557	2.7150	2.7150	4.5879	3.9830	3.9830
O3	2.4016	1.3925		2.3172	1.4940	2.4175	3.3335	2.6691	2.6691	2.1180	2.1180	3.3913	2.6602	2.6602
O4	2.4658	1.2470	2.3172		2.7498	4.2399	2.6085	3.1689	3.1689	2.7002	2.7002	4.8931	4.6472	4.6472
C5	3.7911	2.4564	1.4940	2.7498		1.5305	4.5904	4.0862	4.0862	1.1009	1.1009	2.1703	2.1756	2.1756
C6	4.8004	3.7199	2.4175	4.2399	1.5305		5.7504	4.8985	4.8985	2.2031	2.2031	1.1031	1.1008	1.1008
H7	1.0975	2.1421	3.3335	2.6085	4.5904	5.7504		1.8009	1.8009	4.7798	4.7798	6.6877	5.8695	5.8695
H8	1.1010	2.1557	2.6691	3.1689	4.0862	4.8985	1.8009		1.7813	4.2995	4.6545	5.9279	5.0469	4.7210
H9	1.1010	2.1557	2.6691	3.1689	4.0862	4.8985	1.8009	1.7813		4.6545	4.2995	5.9279	4.7210	5.0469
H10	4.1130	2.7150	2.1180	2.7002	1.1009	2.2031	4.7798	4.2995	4.6545		1.7842	2.5560	3.1090	2.5450
H11	4.1130	2.7150	2.1180	2.7002	1.1009	2.2031	4.7798	4.6545	4.2995	1.7842		2.5560	2.5450	3.1090
H12	5.7928	4.5879	3.3913	4.8931	2.1703	1.1031	6.6877	5.9279	5.9279	2.5560	2.5560		1.7908	1.7908
H13	4.8738	3.9830	2.6602	4.6472	2.1756	1.1008	5.8695	5.0469	4.7210	3.1090	2.5450	1.7908		1.7870
H14	4.8738	3.9830	2.6602	4.6472	2.1756	1.1008	5.8695	4.7210	5.0469	2.5450	3.1090	1.7908	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.242	C1	C2	O4	126.072
C2	C1	H7	109.036	C2	C1	H8	109.898
C2	C1	H9	109.898	C2	O3	C5	116.601
O3	C2	O4	122.686	O3	C5	C6	106.126
O3	C5	H10	108.467	O3	C5	H11	108.467
C5	C6	H12	109.931	C5	C6	H13	110.478
C5	C6	H14	110.478	C6	C5	H10	112.678
C6	C5	H11	112.678	H7	C1	H8	110.002
H7	C1	H9	110.002	H8	C1	H9	107.994
H10	C5	H11	108.262	H12	C6	H13	108.695
H12	C6	H14	108.695	H13	C6	H14	108.513

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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