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	hartrees
Energy at 0K	-307.149246
Energy at 298.15K
HF Energy	-305.979470
Nuclear repulsion energy	243.407357

Atom	x (Å)	y (Å)	z (Å)
C1	-2.314	0.040	0.000
C2	-0.911	-0.514	0.000
O3	0.000	0.487	0.000
O4	-0.614	-1.688	0.000
C5	1.380	0.058	0.000
C6	2.239	1.305	0.000
H7	-3.026	-0.782	0.000
H8	-2.462	0.664	0.883
H9	-2.462	0.664	-0.883
H10	1.559	-0.558	0.884
H11	1.559	-0.558	-0.884
H12	3.295	1.022	0.000
H13	2.042	1.909	-0.888
H14	2.042	1.909	0.888

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5084	2.3563	2.4235	3.6935	4.7251	1.0880	1.0915	1.0915	4.0173	4.0173	5.6937	4.8222	4.8222
C2	1.5084		1.3540	1.2102	2.3612	3.6378	2.1315	2.1392	2.1392	2.6239	2.6239	4.4776	3.9221	3.9221
O3	2.3563	1.3540		2.2602	1.4452	2.3838	3.2811	2.6218	2.6218	2.0751	2.0751	3.3379	2.6421	2.6421
O4	2.4235	1.2102	2.2602		2.6504	4.1352	2.5755	3.1188	3.1188	2.6043	2.6043	4.7565	4.5589	4.5589
C5	3.6935	2.3612	1.4452	2.6504		1.5145	4.4849	3.9887	3.9887	1.0924	1.0924	2.1439	2.1573	2.1573
C6	4.7251	3.6378	2.3838	4.1352	1.5145		5.6634	4.8262	4.8262	2.1716	2.1716	1.0931	1.0917	1.0917
H7	1.0880	2.1315	3.2811	2.5755	4.4849	5.6634		1.7862	1.7862	4.6746	4.6746	6.5729	5.8064	5.8064
H8	1.0915	2.1392	2.6218	3.1188	3.9887	4.8262	1.7862		1.7661	4.2032	4.5596	5.8354	4.9976	4.6733
H9	1.0915	2.1392	2.6218	3.1188	3.9887	4.8262	1.7862	1.7661		4.5596	4.2032	5.8354	4.6733	4.9976
H10	4.0173	2.6239	2.0751	2.6043	1.0924	2.1716	4.6746	4.2032	4.5596		1.7682	2.5081	3.0758	2.5140
H11	4.0173	2.6239	2.0751	2.6043	1.0924	2.1716	4.6746	4.5596	4.2032	1.7682		2.5081	2.5140	3.0758
H12	5.6937	4.4776	3.3379	4.7565	2.1439	1.0931	6.5729	5.8354	5.8354	2.5081	2.5081		1.7732	1.7732
H13	4.8222	3.9221	2.6421	4.5589	2.1573	1.0917	5.8064	4.9976	4.6733	3.0758	2.5140	1.7732		1.7758
H14	4.8222	3.9221	2.6421	4.5589	2.1573	1.0917	5.8064	4.6733	4.9976	2.5140	3.0758	1.7732	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.700	C1	C2	O4	125.760
C2	C1	H7	109.294	C2	C1	H8	109.693
C2	C1	H9	109.693	C2	O3	C5	114.995
O3	C2	O4	123.540	O3	C5	C6	107.276
O3	C5	H10	108.924	O3	C5	H11	108.924
C5	C6	H12	109.538	C5	C6	H13	110.687
C5	C6	H14	110.687	C6	C5	H10	111.797
C6	C5	H11	111.797	H7	C1	H8	110.075
H7	C1	H9	110.075	H8	C1	H9	107.995
H10	C5	H11	108.057	H12	C6	H13	108.510
H12	C6	H14	108.510	H13	C6	H14	108.850

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

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

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