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	hartrees
Energy at 0K	-307.236398
Energy at 298.15K
HF Energy	-306.011489
Nuclear repulsion energy	244.665669

Atom	x (Å)	y (Å)	z (Å)
C1	-2.300	0.041	0.000
C2	-0.906	-0.509	0.000
O3	0.000	0.490	0.000
O4	-0.608	-1.679	0.000
C5	1.371	0.055	0.000
C6	2.226	1.294	0.000
H7	-3.010	-0.777	0.000
H8	-2.447	0.665	0.877
H9	-2.447	0.665	-0.877
H10	1.543	-0.563	0.879
H11	1.543	-0.563	-0.879
H12	3.277	1.015	0.000
H13	2.029	1.896	-0.882
H14	2.029	1.896	0.882

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4984	2.3439	2.4131	3.6718	4.6971	1.0826	1.0863	1.0863	3.9886	3.9886	5.6622	4.7924	4.7924
C2	1.4984		1.3483	1.2081	2.3462	3.6142	2.1207	2.1262	2.1262	2.6028	2.6028	4.4524	3.8960	3.8960
O3	2.3439	1.3483		2.2524	1.4387	2.3672	3.2656	2.6056	2.6056	2.0641	2.0641	3.3191	2.6219	2.6219
O4	2.4131	1.2081	2.2524		2.6312	4.1075	2.5661	3.1061	3.1061	2.5778	2.5778	4.7279	4.5295	4.5295
C5	3.6718	2.3462	1.4387	2.6312		1.5056	4.4595	3.9653	3.9653	1.0877	1.0877	2.1343	2.1454	2.1454
C6	4.6971	3.6142	2.3672	4.1075	1.5056		5.6310	4.7967	4.7967	2.1647	2.1647	1.0872	1.0863	1.0863
H7	1.0826	2.1207	3.2656	2.5661	4.4595	5.6310		1.7789	1.7789	4.6420	4.6420	6.5377	5.7721	5.7721
H8	1.0863	2.1262	2.6056	3.1061	3.9653	4.7967	1.7789		1.7537	4.1749	4.5291	5.8020	4.9648	4.6428
H9	1.0863	2.1262	2.6056	3.1061	3.9653	4.7967	1.7789	1.7537		4.5291	4.1749	5.8020	4.6428	4.9648
H10	3.9886	2.6028	2.0641	2.5778	1.0877	2.1647	4.6420	4.1749	4.5291		1.7578	2.5039	3.0634	2.5066
H11	3.9886	2.6028	2.0641	2.5778	1.0877	2.1647	4.6420	4.5291	4.1749	1.7578		2.5039	2.5066	3.0634
H12	5.6622	4.4524	3.3191	4.7279	2.1343	1.0872	6.5377	5.8020	5.8020	2.5039	2.5039		1.7643	1.7643
H13	4.7924	3.8960	2.6219	4.5295	2.1454	1.0863	5.7721	4.9648	4.6428	3.0634	2.5066	1.7643		1.7642
H14	4.7924	3.8960	2.6219	4.5295	2.1454	1.0863	5.7721	4.6428	4.9648	2.5066	3.0634	1.7643	1.7642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.735	C1	C2	O4	125.809
C2	C1	H7	109.450	C2	C1	H8	109.661
C2	C1	H9	109.661	C2	O3	C5	114.640
O3	C2	O4	123.456	O3	C5	C6	107.007
O3	C5	H10	108.786	O3	C5	H11	108.786
C5	C6	H12	109.748	C5	C6	H13	110.695
C5	C6	H14	110.695	C6	C5	H10	112.177
C6	C5	H11	112.177	H7	C1	H8	110.203
H7	C1	H9	110.203	H8	C1	H9	107.639
H10	C5	H11	107.819	H12	C6	H13	108.529
H12	C6	H14	108.529	H13	C6	H14	108.585

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

using model chemistry: MP2/cc-pVQZ

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: MP2/cc-pVQZ

States and conformations

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