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	hartrees
Energy at 0K	-307.185291
Energy at 298.15K
HF Energy	-305.994355
Nuclear repulsion energy	244.616034

Atom	x (Å)	y (Å)	z (Å)
C1	-2.304	0.030	0.000
C2	-0.903	-0.514	0.000
O3	0.000	0.478	0.000
O4	-0.607	-1.679	0.000
C5	1.373	0.061	0.000
C6	2.224	1.311	0.000
H7	-3.011	-0.794	0.000
H8	-2.454	0.654	0.879
H9	-2.454	0.654	-0.879
H10	1.555	-0.554	0.881
H11	1.555	-0.554	-0.881
H12	3.279	1.037	0.000
H13	2.023	1.915	-0.884
H14	2.023	1.915	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5032	2.3475	2.4078	3.6777	4.7064	1.0852	1.0892	1.0892	4.0015	4.0015	5.6737	4.8026	4.8026
C2	1.5032		1.3415	1.2017	2.3476	3.6207	2.1270	2.1320	2.1320	2.6113	2.6113	4.4603	3.9044	3.9044
O3	2.3475	1.3415		2.2411	1.4352	2.3751	3.2689	2.6129	2.6129	2.0641	2.0641	3.3265	2.6344	2.6344
O4	2.4078	1.2017	2.2411		2.6366	4.1182	2.5616	3.1029	3.1029	2.5919	2.5919	4.7415	4.5408	4.5408
C5	3.6777	2.3476	1.4352	2.6366		1.5121	4.4672	3.9718	3.9718	1.0898	1.0898	2.1411	2.1543	2.1543
C6	4.7064	3.6207	2.3751	4.1182	1.5121		5.6428	4.8055	4.8055	2.1688	2.1688	1.0902	1.0895	1.0895
H7	1.0852	2.1270	3.2689	2.5616	4.4672	5.6428		1.7835	1.7835	4.6569	4.6569	6.5515	5.7851	5.7851
H8	1.0892	2.1320	2.6129	3.1029	3.9718	4.8055	1.7835		1.7588	4.1877	4.5425	5.8131	4.9748	4.6516
H9	1.0892	2.1320	2.6129	3.1029	3.9718	4.8055	1.7835	1.7588		4.5425	4.1877	5.8131	4.6516	4.9748
H10	4.0015	2.6113	2.0641	2.5919	1.0898	2.1688	4.6569	4.1877	4.5425		1.7615	2.5059	3.0712	2.5132
H11	4.0015	2.6113	2.0641	2.5919	1.0898	2.1688	4.6569	4.5425	4.1877	1.7615		2.5059	2.5132	3.0712
H12	5.6737	4.4603	3.3265	4.7415	2.1411	1.0902	6.5515	5.8131	5.8131	2.5059	2.5059		1.7695	1.7695
H13	4.8026	3.9044	2.6344	4.5408	2.1543	1.0895	5.7851	4.9748	4.6516	3.0712	2.5132	1.7695		1.7689
H14	4.8026	3.9044	2.6344	4.5408	2.1543	1.0895	5.7851	4.6516	4.9748	2.5132	3.0712	1.7695	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.098	C1	C2	O4	125.422
C2	C1	H7	109.464	C2	C1	H8	109.621
C2	C1	H9	109.621	C2	O3	C5	115.403
O3	C2	O4	123.481	O3	C5	C6	107.354
O3	C5	H10	108.896	O3	C5	H11	108.896
C5	C6	H12	109.661	C5	C6	H13	110.749
C5	C6	H14	110.749	C6	C5	H10	111.899
C6	C5	H11	111.899	H7	C1	H8	110.213
H7	C1	H9	110.213	H8	C1	H9	107.684
H10	C5	H11	107.829	H12	C6	H13	108.540
H12	C6	H14	108.540	H13	C6	H14	108.541

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

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