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	hartrees
Energy at 0K	-307.228291
Energy at 298.15K
HF Energy	-305.988024
Nuclear repulsion energy	243.431653

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.047	0.000
C2	-0.911	-0.509	0.000
O3	0.000	0.496	0.000
O4	-0.614	-1.687	0.000
C5	1.376	0.051	0.000
C6	2.243	1.292	0.000
H7	-3.027	-0.771	0.000
H8	-2.458	0.674	0.880
H9	-2.458	0.674	-0.880
H10	1.546	-0.569	0.882
H11	1.546	-0.569	-0.882
H12	3.296	1.007	0.000
H13	2.048	1.898	-0.885
H14	2.048	1.898	0.885

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5075	2.3552	2.4275	3.6883	4.7216	1.0868	1.0906	1.0906	4.0049	4.0049	5.6900	4.8182	4.8182
C2	1.5075		1.3566	1.2148	2.3550	3.6317	2.1322	2.1375	2.1375	2.6110	2.6110	4.4724	3.9157	3.9157
O3	2.3552	1.3566		2.2675	1.4461	2.3796	3.2817	2.6171	2.6171	2.0737	2.0737	3.3357	2.6348	2.6348
O4	2.4275	1.2148	2.2675		2.6422	4.1269	2.5815	3.1229	3.1229	2.5867	2.5867	4.7484	4.5518	4.5518
C5	3.6883	2.3550	1.4461	2.6422		1.5130	4.4795	3.9830	3.9830	1.0914	1.0914	2.1449	2.1553	2.1553
C6	4.7216	3.6317	2.3796	4.1269	1.5130		5.6591	4.8221	4.8221	2.1737	2.1737	1.0915	1.0907	1.0907
H7	1.0868	2.1322	3.2817	2.5815	4.4795	5.6591		1.7855	1.7855	4.6615	4.6615	6.5688	5.8018	5.8018
H8	1.0906	2.1375	2.6171	3.1229	3.9830	4.8221	1.7855		1.7608	4.1922	4.5476	5.8309	4.9916	4.6689
H9	1.0906	2.1375	2.6171	3.1229	3.9830	4.8221	1.7855	1.7608		4.5476	4.1922	5.8309	4.6689	4.9916
H10	4.0049	2.6110	2.0737	2.5867	1.0914	2.1737	4.6615	4.1922	4.5476		1.7640	2.5153	3.0758	2.5174
H11	4.0049	2.6110	2.0737	2.5867	1.0914	2.1737	4.6615	4.5476	4.1922	1.7640		2.5153	2.5174	3.0758
H12	5.6900	4.4724	3.3357	4.7484	2.1449	1.0915	6.5688	5.8309	5.8309	2.5153	2.5153		1.7712	1.7712
H13	4.8182	3.9157	2.6348	4.5518	2.1553	1.0907	5.8018	4.9916	4.6689	3.0758	2.5174	1.7712		1.7707
H14	4.8182	3.9157	2.6348	4.5518	2.1553	1.0907	5.8018	4.6689	4.9916	2.5174	3.0758	1.7712	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.531	C1	C2	O4	125.838
C2	C1	H7	109.481	C2	C1	H8	109.672
C2	C1	H9	109.672	C2	O3	C5	114.295
O3	C2	O4	123.631	O3	C5	C6	107.031
O3	C5	H10	108.808	O3	C5	H11	108.808
C5	C6	H12	109.822	C5	C6	H13	110.693
C5	C6	H14	110.693	C6	C5	H10	112.140
C6	C5	H11	112.140	H7	C1	H8	110.167
H7	C1	H9	110.167	H8	C1	H9	107.659
H10	C5	H11	107.831	H12	C6	H13	108.516
H12	C6	H14	108.516	H13	C6	H14	108.538

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

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

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