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	hartrees
Energy at 0K	-307.255906
Energy at 298.15K
HF Energy	-305.991564
Nuclear repulsion energy	245.889456

Atom	x (Å)	y (Å)	z (Å)
C1	-2.294	0.029	0.000
C2	-0.898	-0.509	0.000
O3	0.000	0.477	0.000
O4	-0.605	-1.668	0.000
C5	1.364	0.060	0.000
C6	2.216	1.301	0.000
H7	-2.996	-0.791	0.000
H8	-2.444	0.652	0.875
H9	-2.444	0.652	-0.875
H10	1.548	-0.552	0.875
H11	1.548	-0.552	-0.875
H12	3.266	1.027	0.000
H13	2.016	1.903	-0.880
H14	2.016	1.903	0.880

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4956	2.3369	2.3940	3.6579	4.6857	1.0798	1.0839	1.0839	3.9831	3.9831	5.6479	4.7811	4.7811
C2	1.4956		1.3345	1.1952	2.3331	3.6027	2.1165	2.1218	2.1218	2.5989	2.5989	4.4383	3.8843	3.8843
O3	2.3369	1.3345		2.2292	1.4267	2.3644	3.2533	2.6017	2.6017	2.0553	2.0553	3.3115	2.6213	2.6213
O4	2.3940	1.1952	2.2292		2.6201	4.0961	2.5467	3.0866	3.0866	2.5786	2.5786	4.7167	4.5163	4.5163
C5	3.6579	2.3331	1.4267	2.6201		1.5057	4.4425	3.9520	3.9520	1.0838	1.0838	2.1332	2.1436	2.1436
C6	4.6857	3.6027	2.3644	4.0961	1.5057		5.6164	4.7859	4.7859	2.1559	2.1559	1.0846	1.0842	1.0842
H7	1.0798	2.1165	3.2533	2.5467	4.4425	5.6164		1.7748	1.7748	4.6341	4.6341	6.5201	5.7578	5.7578
H8	1.0839	2.1218	2.6017	3.0866	3.9520	4.7859	1.7748		1.7493	4.1701	4.5223	5.7884	4.9537	4.6326
H9	1.0839	2.1218	2.6017	3.0866	3.9520	4.7859	1.7748	1.7493		4.5223	4.1701	5.7884	4.6326	4.9537
H10	3.9831	2.5989	2.0553	2.5786	1.0838	2.1559	4.6341	4.1701	4.5223		1.7503	2.4918	3.0538	2.4992
H11	3.9831	2.5989	2.0553	2.5786	1.0838	2.1559	4.6341	4.5223	4.1701	1.7503		2.4918	2.4992	3.0538
H12	5.6479	4.4383	3.3115	4.7167	2.1332	1.0846	6.5201	5.7884	5.7884	2.4918	2.4918		1.7610	1.7610
H13	4.7811	3.8843	2.6213	4.5163	2.1436	1.0842	5.7578	4.9537	4.6326	3.0538	2.4992	1.7610		1.7595
H14	4.7811	3.8843	2.6213	4.5163	2.1436	1.0842	5.7578	4.6326	4.9537	2.4992	3.0538	1.7610	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.201	C1	C2	O4	125.307
C2	C1	H7	109.476	C2	C1	H8	109.653
C2	C1	H9	109.653	C2	O3	C5	115.296
O3	C2	O4	123.492	O3	C5	C6	107.442
O3	C5	H10	109.137	O3	C5	H11	109.137
C5	C6	H12	109.809	C5	C6	H13	110.672
C5	C6	H14	110.672	C6	C5	H10	111.692
C6	C5	H11	111.692	H7	C1	H8	110.219
H7	C1	H9	110.219	H8	C1	H9	107.595
H10	C5	H11	107.699	H12	C6	H13	108.576
H12	C6	H14	108.576	H13	C6	H14	108.475

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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