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	hartrees
Energy at 0K	-306.875411
Energy at 298.15K
HF Energy	-305.893361
Nuclear repulsion energy	242.987472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3062	7.48
2	A'	3188	3014	26.64
3	A'	3130	2959	16.82
4	A'	3121	2951	3.92
5	A'	3105	2936	18.92
6	A'	1817	1718	268.86
7	A'	1566	1481	3.29
8	A'	1545	1460	3.51
9	A'	1523	1440	12.49
10	A'	1479	1398	3.51
11	A'	1455	1375	58.22
12	A'	1430	1352	6.15
13	A'	1315	1244	421.77
14	A'	1168	1104	8.94
15	A'	1112	1051	95.18
16	A'	1043	986	8.48
17	A'	968	915	9.08
18	A'	880	832	13.75
19	A'	644	609	8.23
20	A'	435	411	0.83
21	A'	374	353	8.73
22	A'	197	187	5.77
23	A"	3203	3028	42.29
24	A"	3202	3027	5.19
25	A"	3177	3004	3.53
26	A"	1531	1447	6.01
27	A"	1521	1438	7.75
28	A"	1318	1246	1.02
29	A"	1210	1144	3.95
30	A"	1089	1030	3.48
31	A"	830	784	0.03
32	A"	607	573	7.50
33	A"	268	253	1.10
34	A"	150	142	5.69
35	A"	67	63	0.21
36	A"	40	38	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.315	0.025	0.000
C2	-0.910	-0.521	0.000
O3	0.000	0.484	0.000
O4	-0.607	-1.701	0.000
C5	1.388	0.069	0.000
C6	2.228	1.329	0.000
H7	-3.020	-0.802	0.000
H8	-2.466	0.648	0.881
H9	-2.466	0.648	-0.881
H10	1.568	-0.545	0.883
H11	1.568	-0.545	-0.883
H12	3.286	1.064	0.000
H13	2.020	1.930	-0.886
H14	2.020	1.930	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5074	2.3603	2.4281	3.7037	4.7262	1.0864	1.0901	1.0901	4.0234	4.0234	5.6972	4.8176	4.8176
C2	1.5074		1.3557	1.2183	2.3726	3.6422	2.1291	2.1368	2.1368	2.6312	2.6312	4.4856	3.9212	3.9212
O3	2.3603	1.3557		2.2677	1.4492	2.3824	3.2827	2.6242	2.6242	2.0736	2.0736	3.3372	2.6374	2.6374
O4	2.4281	1.2183	2.2677		2.6668	4.1490	2.5755	3.1228	3.1228	2.6168	2.6168	4.7751	4.5681	4.5681
C5	3.7037	2.3726	1.4492	2.6668		1.5143	4.4938	3.9964	3.9964	1.0905	1.0905	2.1432	2.1559	2.1559
C6	4.7262	3.6422	2.3824	4.1490	1.5143		5.6640	4.8242	4.8242	2.1743	2.1743	1.0916	1.0902	1.0902
H7	1.0864	2.1291	3.2827	2.5755	4.4938	5.6640		1.7849	1.7849	4.6801	4.6801	6.5769	5.8011	5.8011
H8	1.0901	2.1368	2.6242	3.1228	3.9964	4.8242	1.7849		1.7629	4.2077	4.5627	5.8348	4.9895	4.6660
H9	1.0901	2.1368	2.6242	3.1228	3.9964	4.8242	1.7849	1.7629		4.5627	4.2077	5.8348	4.6660	4.9895
H10	4.0234	2.6312	2.0736	2.6168	1.0905	2.1743	4.6801	4.2077	4.5627		1.7662	2.5141	3.0756	2.5160
H11	4.0234	2.6312	2.0736	2.6168	1.0905	2.1743	4.6801	4.5627	4.2077	1.7662		2.5141	2.5160	3.0756
H12	5.6972	4.4856	3.3372	4.7751	2.1432	1.0916	6.5769	5.8348	5.8348	2.5141	2.5141		1.7714	1.7714
H13	4.8176	3.9212	2.6374	4.5681	2.1559	1.0902	5.8011	4.9895	4.6660	3.0756	2.5160	1.7714		1.7718
H14	4.8176	3.9212	2.6374	4.5681	2.1559	1.0902	5.8011	4.6660	4.9895	2.5160	3.0756	1.7714	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.939	C1	C2	O4	125.620
C2	C1	H7	109.256	C2	C1	H8	109.647
C2	C1	H9	109.647	C2	O3	C5	115.494
O3	C2	O4	123.441	O3	C5	C6	106.993
O3	C5	H10	108.646	O3	C5	H11	108.646
C5	C6	H12	109.594	C5	C6	H13	110.685
C5	C6	H14	110.685	C6	C5	H10	112.152
C6	C5	H11	112.152	H7	C1	H8	110.177
H7	C1	H9	110.177	H8	C1	H9	107.918
H10	C5	H11	108.147	H12	C6	H13	108.563
H12	C6	H14	108.563	H13	C6	H14	108.694

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

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

States and conformations

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