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	hartrees
Energy at 0K	-306.875830
Energy at 298.15K
HF Energy	-305.896456
Nuclear repulsion energy	242.786399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3075	7.31
2	A'	3157	3028	23.86
3	A'	3084	2959	7.74
4	A'	3083	2958	13.50
5	A'	3068	2943	18.92
6	A'	1852	1776	222.84
7	A'	1524	1463	3.27
8	A'	1499	1438	2.19
9	A'	1472	1412	12.06
10	A'	1447	1388	4.74
11	A'	1415	1357	91.92
12	A'	1392	1335	16.24
13	A'	1301	1248	392.52
14	A'	1152	1105	15.44
15	A'	1112	1067	77.81
16	A'	1020	979	11.57
17	A'	966	927	7.14
18	A'	879	843	10.41
19	A'	648	621	9.18
20	A'	427	410	0.61
21	A'	376	361	9.52
22	A'	199	190	4.06
23	A"	3167	3039	7.57
24	A"	3163	3035	35.05
25	A"	3129	3002	12.59
26	A"	1484	1424	4.94
27	A"	1478	1418	6.88
28	A"	1302	1249	1.28
29	A"	1190	1142	4.30
30	A"	1070	1026	5.33
31	A"	814	781	0.16
32	A"	607	583	5.95
33	A"	274	263	1.04
34	A"	153	146	3.96
35	A"	83	79	0.02
36	A"	69	66	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	-2.317	0.036	0.000
C2	-0.907	-0.518	0.000
O3	0.000	0.489	0.000
O4	-0.608	-1.692	0.000
C5	1.377	0.058	0.000
C6	2.237	1.312	0.000
H7	-3.038	-0.793	0.000
H8	-2.465	0.671	0.890
H9	-2.465	0.671	-0.890
H10	1.562	-0.568	0.891
H11	1.562	-0.568	-0.891
H12	3.306	1.035	0.000
H13	2.032	1.924	-0.896
H14	2.032	1.924	0.896

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5144	2.3604	2.4304	3.6935	4.7286	1.0994	1.1033	1.1033	4.0254	4.0254	5.7106	4.8241	4.8241
C2	1.5144		1.3560	1.2114	2.3559	3.6382	2.1484	2.1526	2.1526	2.6258	2.6258	4.4907	3.9251	3.9251
O3	2.3604	1.3560		2.2647	1.4428	2.3833	3.2977	2.6273	2.6273	2.0862	2.0862	3.3508	2.6436	2.6436
O4	2.4304	1.2114	2.2647		2.6465	4.1375	2.5911	3.1346	3.1346	2.6013	2.6013	4.7707	4.5660	4.5660
C5	3.6935	2.3559	1.4428	2.6465		1.5204	4.4963	3.9911	3.9911	1.1047	1.1047	2.1625	2.1708	2.1708
C6	4.7286	3.6382	2.3833	4.1375	1.5204		5.6795	4.8282	4.8282	2.1873	2.1873	1.1045	1.1039	1.1039
H7	1.0994	2.1484	3.2977	2.5911	4.4963	5.6795		1.8067	1.8067	4.6912	4.6912	6.6023	5.8213	5.8213
H8	1.1033	2.1526	2.6273	3.1346	3.9911	4.8282	1.8067		1.7806	4.2137	4.5746	5.8507	4.9981	4.6682
H9	1.1033	2.1526	2.6273	3.1346	3.9911	4.8282	1.8067	1.7806		4.5746	4.2137	5.8507	4.6682	4.9981
H10	4.0254	2.6258	2.0862	2.6013	1.1047	2.1873	4.6912	4.2137	4.5746		1.7815	2.5309	3.1022	2.5363
H11	4.0254	2.6258	2.0862	2.6013	1.1047	2.1873	4.6912	4.5746	4.2137	1.7815		2.5309	2.5363	3.1022
H12	5.7106	4.4907	3.3508	4.7707	2.1625	1.1045	6.6023	5.8507	5.8507	2.5309	2.5309		1.7933	1.7933
H13	4.8241	3.9251	2.6436	4.5660	2.1708	1.1039	5.8213	4.9981	4.6682	3.1022	2.5363	1.7933		1.7911
H14	4.8241	3.9251	2.6436	4.5660	2.1708	1.1039	5.8213	4.6682	4.9981	2.5363	3.1022	1.7933	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.514	C1	C2	O4	125.795
C2	C1	H7	109.532	C2	C1	H8	109.633
C2	C1	H9	109.633	C2	O3	C5	114.619
O3	C2	O4	123.691	O3	C5	C6	107.058
O3	C5	H10	109.242	O3	C5	H11	109.242
C5	C6	H12	109.928	C5	C6	H13	110.619
C5	C6	H14	110.619	C6	C5	H10	111.890
C6	C5	H11	111.890	H7	C1	H8	110.212
H7	C1	H9	110.212	H8	C1	H9	107.592
H10	C5	H11	107.484	H12	C6	H13	108.591
H12	C6	H14	108.591	H13	C6	H14	108.432

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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