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	hartrees
Energy at 0K	-307.175239
Energy at 298.15K
HF Energy	-305.990175
Nuclear repulsion energy	244.378011

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.034	0.000
C2	-0.904	-0.513	0.000
O3	0.000	0.483	0.000
O4	-0.609	-1.681	0.000
C5	1.373	0.059	0.000
C6	2.228	1.306	0.000
H7	-3.015	-0.787	0.000
H8	-2.455	0.659	0.879
H9	-2.455	0.659	-0.879
H10	1.553	-0.558	0.880
H11	1.553	-0.558	-0.880
H12	3.283	1.031	0.000
H13	2.028	1.911	-0.884
H14	2.028	1.911	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5043	2.3487	2.4125	3.6786	4.7083	1.0851	1.0891	1.0891	4.0014	4.0014	5.6761	4.8046	4.8046
C2	1.5043		1.3454	1.2048	2.3481	3.6220	2.1283	2.1336	2.1336	2.6102	2.6102	4.4623	3.9059	3.9059
O3	2.3487	1.3454		2.2484	1.4370	2.3750	3.2714	2.6134	2.6134	2.0662	2.0662	3.3280	2.6332	2.6332
O4	2.4125	1.2048	2.2484		2.6378	4.1197	2.5665	3.1079	3.1079	2.5904	2.5904	4.7433	4.5430	4.5430
C5	3.6786	2.3481	1.4370	2.6378		1.5117	4.4687	3.9732	3.9732	1.0895	1.0895	2.1424	2.1538	2.1538
C6	4.7083	3.6220	2.3750	4.1197	1.5117		5.6449	4.8081	4.8081	2.1687	2.1687	1.0902	1.0894	1.0894
H7	1.0851	2.1283	3.2714	2.5665	4.4687	5.6449		1.7829	1.7829	4.6573	4.6573	6.5544	5.7872	5.7872
H8	1.0891	2.1336	2.6134	3.1079	3.9732	4.8081	1.7829		1.7581	4.1885	4.5428	5.8162	4.9772	4.6545
H9	1.0891	2.1336	2.6134	3.1079	3.9732	4.8081	1.7829	1.7581		4.5428	4.1885	5.8162	4.6545	4.9772
H10	4.0014	2.6102	2.0662	2.5904	1.0895	2.1687	4.6573	4.1885	4.5428		1.7596	2.5077	3.0709	2.5139
H11	4.0014	2.6102	2.0662	2.5904	1.0895	2.1687	4.6573	4.5428	4.1885	1.7596		2.5077	2.5139	3.0709
H12	5.6761	4.4623	3.3280	4.7433	2.1424	1.0902	6.5544	5.8162	5.8162	2.5077	2.5077		1.7690	1.7690
H13	4.8046	3.9059	2.6332	4.5430	2.1538	1.0894	5.7872	4.9772	4.6545	3.0709	2.5139	1.7690		1.7680
H14	4.8046	3.9059	2.6332	4.5430	2.1538	1.0894	5.7872	4.6545	4.9772	2.5139	3.0709	1.7690	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.892	C1	C2	O4	125.514
C2	C1	H7	109.489	C2	C1	H8	109.677
C2	C1	H9	109.677	C2	O3	C5	115.069
O3	C2	O4	123.594	O3	C5	C6	107.273
O3	C5	H10	108.952	O3	C5	H11	108.952
C5	C6	H12	109.795	C5	C6	H13	110.747
C5	C6	H14	110.747	C6	C5	H10	111.947
C6	C5	H11	111.947	H7	C1	H8	110.172
H7	C1	H9	110.172	H8	C1	H9	107.630
H10	C5	H11	107.706	H12	C6	H13	108.507
H12	C6	H14	108.507	H13	C6	H14	108.472

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

using model chemistry: QCISD/cc-pVTZ

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-pVTZ

States and conformations

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