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	hartrees
Energy at 0K	-306.864745
Energy at 298.15K
HF Energy	-305.897328
Nuclear repulsion energy	243.220859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3076	6.69
2	A'	3169	3032	22.22
3	A'	3093	2959	5.16
4	A'	3090	2956	15.02
5	A'	3078	2944	18.10
6	A'	1897	1815	235.06
7	A'	1530	1463	3.35
8	A'	1502	1437	2.14
9	A'	1475	1411	13.05
10	A'	1455	1392	8.28
11	A'	1421	1359	115.78
12	A'	1397	1337	17.91
13	A'	1316	1259	399.35
14	A'	1160	1110	25.23
15	A'	1125	1077	57.89
16	A'	1025	980	10.00
17	A'	976	934	6.40
18	A'	889	850	10.28
19	A'	655	627	10.24
20	A'	430	412	0.64
21	A'	380	363	9.49
22	A'	200	191	4.14
23	A"	3178	3040	6.81
24	A"	3174	3037	32.07
25	A"	3137	3002	14.30
26	A"	1486	1422	5.02
27	A"	1480	1416	6.99
28	A"	1309	1252	1.44
29	A"	1195	1143	4.47
30	A"	1076	1029	5.69
31	A"	817	782	0.16
32	A"	613	586	5.93
33	A"	274	263	1.04
34	A"	153	146	4.00
35	A"	89	85	0.12
36	A"	75	72	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-2.314	0.031	0.000
C2	-0.904	-0.520	0.000
O3	0.000	0.485	0.000
O4	-0.605	-1.688	0.000
C5	1.374	0.061	0.000
C6	2.232	1.316	0.000
H7	-3.033	-0.800	0.000
H8	-2.464	0.665	0.890
H9	-2.464	0.665	-0.890
H10	1.564	-0.565	0.890
H11	1.564	-0.565	-0.890
H12	3.301	1.042	0.000
H13	2.025	1.928	-0.895
H14	2.025	1.928	0.895

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5133	2.3580	2.4237	3.6879	4.7237	1.0990	1.1029	1.1029	4.0228	4.0228	5.7050	4.8195	4.8195
C2	1.5133		1.3519	1.2061	2.3511	3.6339	2.1472	2.1512	2.1512	2.6241	2.6241	4.4858	3.9211	3.9211
O3	2.3580	1.3519		2.2562	1.4380	2.3814	3.2942	2.6257	2.6257	2.0833	2.0833	3.3475	2.6429	2.6429
O4	2.4237	1.2061	2.2562		2.6414	4.1324	2.5852	3.1279	3.1279	2.6001	2.6001	4.7658	4.5606	4.5606
C5	3.6879	2.3511	1.4380	2.6414		1.5206	4.4904	3.9856	3.9856	1.1044	1.1044	2.1623	2.1707	2.1707
C6	4.7237	3.6339	2.3814	4.1324	1.5206		5.6742	4.8231	4.8231	2.1856	2.1856	1.1039	1.1035	1.1035
H7	1.0990	2.1472	3.2942	2.5852	4.4904	5.6742		1.8062	1.8062	4.6883	4.6883	6.5964	5.8164	5.8164
H8	1.1029	2.1512	2.6257	3.1279	3.9856	4.8231	1.8062		1.7796	4.2111	4.5719	5.8451	4.9933	4.6634
H9	1.1029	2.1512	2.6257	3.1279	3.9856	4.8231	1.8062	1.7796		4.5719	4.2111	5.8451	4.6634	4.9933
H10	4.0228	2.6241	2.0833	2.6001	1.1044	2.1856	4.6883	4.2111	4.5719		1.7806	2.5280	3.1006	2.5349
H11	4.0228	2.6241	2.0833	2.6001	1.1044	2.1856	4.6883	4.5719	4.2111	1.7806		2.5280	2.5349	3.1006
H12	5.7050	4.4858	3.3475	4.7658	2.1623	1.1039	6.5964	5.8451	5.8451	2.5280	2.5280		1.7925	1.7925
H13	4.8195	3.9211	2.6429	4.5606	2.1707	1.1035	5.8164	4.9933	4.6634	3.1006	2.5349	1.7925		1.7903
H14	4.8195	3.9211	2.6429	4.5606	2.1707	1.1035	5.8164	4.6634	4.9933	2.5349	3.1006	1.7925	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.638	C1	C2	O4	125.691
C2	C1	H7	109.542	C2	C1	H8	109.628
C2	C1	H9	109.628	C2	O3	C5	114.816
O3	C2	O4	123.671	O3	C5	C6	107.170
O3	C5	H10	109.351	O3	C5	H11	109.351
C5	C6	H12	109.940	C5	C6	H13	110.621
C5	C6	H14	110.621	C6	C5	H10	111.755
C6	C5	H11	111.755	H7	C1	H8	110.225
H7	C1	H9	110.225	H8	C1	H9	107.567
H10	C5	H11	107.434	H12	C6	H13	108.589
H12	C6	H14	108.589	H13	C6	H14	108.421

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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