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	hartrees
Energy at 0K	-267.583376
Energy at 298.15K
HF Energy	-266.890902
Nuclear repulsion energy	179.093193

Atom	x (Å)	y (Å)	z (Å)
C1	-2.165	-0.276	0.000
C2	-0.684	-0.569	0.000
O3	0.000	0.688	0.000
C4	1.323	0.626	0.000
O5	1.975	-0.368	0.000
H6	-2.728	-1.206	0.000
H7	-2.444	0.295	0.881
H8	-2.444	0.295	-0.881
H9	-0.381	-1.133	-0.878
H10	-0.381	-1.133	0.878
H11	1.737	1.637	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5089	2.3694	3.6021	4.1403	1.0876	1.0865	1.0865	2.1645	2.1645	4.3450
C2	1.5089		1.4310	2.3362	2.6667	2.1406	2.1489	2.1489	1.0864	1.0864	3.2753
O3	2.3694	1.4310		1.3241	2.2390	3.3210	2.6272	2.6272	2.0569	2.0569	1.9792
C4	3.6021	2.3362	1.3241		1.1888	4.4460	3.8822	3.8822	2.6018	2.6018	1.0918
O5	4.1403	2.6667	2.2390	1.1888		4.7769	4.5538	4.5538	2.6281	2.6281	2.0183
H6	1.0876	2.1406	3.3210	4.4460	4.7769		1.7638	1.7638	2.5066	2.5066	5.2931
H7	1.0865	2.1489	2.6272	3.8822	4.5538	1.7638		1.7626	3.0637	2.5084	4.4781
H8	1.0865	2.1489	2.6272	3.8822	4.5538	1.7638	1.7626		2.5084	3.0637	4.4781
H9	2.1645	1.0864	2.0569	2.6018	2.6281	2.5066	3.0637	2.5084		1.7555	3.5955
H10	2.1645	1.0864	2.0569	2.6018	2.6281	2.5066	2.5084	3.0637	1.7555		3.5955
H11	4.3450	3.2753	1.9792	1.0918	2.0183	5.2931	4.4781	4.4781	3.5955	3.5955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.374	C1	C2	H9	111.995
C1	C2	H10	111.995	C2	C1	H6	110.004
C2	C1	H7	110.731	C2	C1	H8	110.731
C2	O3	C4	115.920	O3	C2	H9	108.808
O3	C2	H10	108.808	O3	C4	O5	125.913
O3	C4	H11	109.644	O5	C4	H11	124.443
H6	C1	H7	108.444	H6	C1	H8	108.444
H7	C1	H8	108.416	H9	C2	H10	107.785

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)

using model chemistry: CISD/6-311G*

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 HCOOC2H5 (Ethyl formate)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)