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	hartrees
Energy at 0K	-306.951384
Energy at 298.15K
HF Energy	-305.914704
Nuclear repulsion energy	242.522125

Atom	x (Å)	y (Å)	z (Å)
C1	-2.322	0.036	0.000
C2	-0.913	-0.512	0.000
O3	0.000	0.490	0.000
O4	-0.614	-1.690	0.000
C5	1.383	0.057	0.000
C6	2.246	1.309	0.000
H7	-3.035	-0.798	0.000
H8	-2.473	0.666	0.890
H9	-2.473	0.666	-0.890
H10	1.559	-0.567	0.891
H11	1.559	-0.567	-0.891
H12	3.311	1.023	0.000
H13	2.048	1.920	-0.895
H14	2.048	1.920	0.895

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5124	2.3664	2.4284	3.7059	4.7428	1.0970	1.1012	1.1012	4.0271	4.0271	5.7189	4.8429	4.8429
C2	1.5124		1.3558	1.2149	2.3656	3.6467	2.1418	2.1488	2.1488	2.6276	2.6276	4.4939	3.9351	3.9351
O3	2.3664	1.3558		2.2648	1.4498	2.3910	3.2974	2.6346	2.6346	2.0831	2.0831	3.3533	2.6535	2.6535
O4	2.4284	1.2149	2.2648		2.6531	4.1443	2.5808	3.1310	3.1310	2.6029	2.6029	4.7708	4.5738	4.5738
C5	3.7059	2.3656	1.4498	2.6531		1.5212	4.5008	4.0049	4.0049	1.1013	1.1013	2.1559	2.1716	2.1716
C6	4.7428	3.6467	2.3910	4.1443	1.5212		5.6866	4.8457	4.8457	2.1876	2.1876	1.1024	1.1015	1.1015
H7	1.0970	2.1418	3.2974	2.5808	4.5008	5.6866		1.8033	1.8033	4.6853	4.6853	6.6022	5.8337	5.8337
H8	1.1012	2.1488	2.6346	3.1310	4.0049	4.8457	1.8033		1.7799	4.2163	4.5770	5.8631	5.0203	4.6922
H9	1.1012	2.1488	2.6346	3.1310	4.0049	4.8457	1.8033	1.7799		4.5770	4.2163	5.8631	4.6922	5.0203
H10	4.0271	2.6276	2.0831	2.6029	1.1013	2.1876	4.6853	4.2163	4.5770		1.7821	2.5279	3.1005	2.5344
H11	4.0271	2.6276	2.0831	2.6029	1.1013	2.1876	4.6853	4.5770	4.2163	1.7821		2.5279	2.5344	3.1005
H12	5.7189	4.4939	3.3533	4.7708	2.1559	1.1024	6.6022	5.8631	5.8631	2.5279	2.5279		1.7890	1.7890
H13	4.8429	3.9351	2.6535	4.5738	2.1716	1.1015	5.8337	5.0203	4.6922	3.1005	2.5344	1.7890		1.7899
H14	4.8429	3.9351	2.6535	4.5738	2.1716	1.1015	5.8337	4.6922	5.0203	2.5344	3.1005	1.7890	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.067	C1	C2	O4	125.495
C2	C1	H7	109.297	C2	C1	H8	109.600
C2	C1	H9	109.600	C2	O3	C5	114.914
O3	C2	O4	123.438	O3	C5	C6	107.154
O3	C5	H10	108.717	O3	C5	H11	108.717
C5	C6	H12	109.489	C5	C6	H13	110.775
C5	C6	H14	110.775	C6	C5	H10	112.071
C6	C5	H11	112.071	H7	C1	H8	110.245
H7	C1	H9	110.245	H8	C1	H9	107.836
H10	C5	H11	108.018	H12	C6	H13	108.530
H12	C6	H14	108.530	H13	C6	H14	108.681

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

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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