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	hartrees
Energy at 0K	-307.111204
Energy at 298.15K
HF Energy	-305.980789
Nuclear repulsion energy	244.137404

Atom	x (Å)	y (Å)	z (Å)
C1	-2.307	0.029	0.000
C2	-0.905	-0.519	0.000
O3	0.000	0.479	0.000
O4	-0.608	-1.686	0.000
C5	1.377	0.065	0.000
C6	2.225	1.317	0.000
H7	-3.016	-0.794	0.000
H8	-2.458	0.653	0.881
H9	-2.458	0.653	-0.881
H10	1.564	-0.549	0.882
H11	1.564	-0.549	-0.882
H12	3.281	1.043	0.000
H13	2.024	1.919	-0.886
H14	2.024	1.919	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5055	2.3506	2.4141	3.6842	4.7118	1.0861	1.0898	1.0898	4.0118	4.0118	5.6799	4.8076	4.8076
C2	1.5055		1.3469	1.2042	2.3552	3.6287	2.1287	2.1353	2.1353	2.6214	2.6214	4.4681	3.9121	3.9121
O3	2.3506	1.3469		2.2484	1.4378	2.3778	3.2734	2.6166	2.6166	2.0685	2.0685	3.3296	2.6371	2.6371
O4	2.4141	1.2042	2.2484		2.6466	4.1284	2.5674	3.1088	3.1088	2.6050	2.6050	4.7512	4.5504	4.5504
C5	3.6842	2.3552	1.4378	2.6466		1.5125	4.4757	3.9781	3.9781	1.0906	1.0906	2.1410	2.1545	2.1545
C6	4.7118	3.6287	2.3778	4.1284	1.5125		5.6501	4.8112	4.8112	2.1673	2.1673	1.0913	1.0901	1.0901
H7	1.0861	2.1287	3.2734	2.5674	4.4757	5.6501		1.7834	1.7834	4.6698	4.6698	6.5596	5.7915	5.7915
H8	1.0898	2.1353	2.6166	3.1088	3.9781	4.8112	1.7834		1.7624	4.1968	4.5521	5.8195	4.9809	4.6569
H9	1.0898	2.1353	2.6166	3.1088	3.9781	4.8112	1.7834	1.7624		4.5521	4.1968	5.8195	4.6569	4.9809
H10	4.0118	2.6214	2.0685	2.6050	1.0906	2.1673	4.6698	4.1968	4.5521		1.7639	2.5026	3.0706	2.5106
H11	4.0118	2.6214	2.0685	2.6050	1.0906	2.1673	4.6698	4.5521	4.1968	1.7639		2.5026	2.5106	3.0706
H12	5.6799	4.4681	3.3296	4.7512	2.1410	1.0913	6.5596	5.8195	5.8195	2.5026	2.5026		1.7706	1.7706
H13	4.8076	3.9121	2.6371	4.5504	2.1545	1.0901	5.7915	4.9809	4.6569	3.0706	2.5106	1.7706		1.7721
H14	4.8076	3.9121	2.6371	4.5504	2.1545	1.0901	5.7915	4.6569	4.9809	2.5106	3.0706	1.7706	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.871	C1	C2	O4	125.607
C2	C1	H7	109.376	C2	C1	H8	109.678
C2	C1	H9	109.678	C2	O3	C5	115.472
O3	C2	O4	123.522	O3	C5	C6	107.381
O3	C5	H10	109.025	O3	C5	H11	109.025
C5	C6	H12	109.566	C5	C6	H13	110.706
C5	C6	H14	110.706	C6	C5	H10	111.712
C6	C5	H11	111.712	H7	C1	H8	110.090
H7	C1	H9	110.090	H8	C1	H9	107.909
H10	C5	H11	107.935	H12	C6	H13	108.529
H12	C6	H14	108.529	H13	C6	H14	108.747

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

using model chemistry: CCSD=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=FULL/TZVP

States and conformations

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