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	hartrees
Energy at 0K	-267.756408
Energy at 298.15K
HF Energy	-266.929493
Nuclear repulsion energy	179.760193

Atom	x (Å)	y (Å)	z (Å)
C1	-2.158	-0.284	0.000
C2	-0.681	-0.570	0.000
O3	0.000	0.681	0.000
C4	1.315	0.632	0.000
O5	1.971	-0.356	0.000
H6	-2.710	-1.215	0.000
H7	-2.439	0.282	0.878
H8	-2.439	0.282	-0.878
H9	-0.379	-1.130	-0.874
H10	-0.379	-1.130	0.874
H11	1.725	1.639	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5042	2.3640	3.5919	4.1296	1.0822	1.0815	1.0815	2.1555	2.1555	4.3325
C2	1.5042		1.4249	2.3305	2.6610	2.1286	2.1418	2.1418	1.0816	1.0816	3.2662
O3	2.3640	1.4249		1.3162	2.2272	3.3074	2.6231	2.6231	2.0470	2.0470	1.9726
C4	3.5919	2.3305	1.3162		1.1855	4.4285	3.8717	3.8717	2.5962	2.5962	1.0871
O5	4.1296	2.6610	2.2272	1.1855		4.7591	4.5419	4.5419	2.6243	2.6243	2.0099
H6	1.0822	2.1286	3.3074	4.4285	4.7591		1.7559	1.7559	2.4911	2.4911	5.2733
H7	1.0815	2.1418	2.6231	3.8717	4.5419	1.7559		1.7556	3.0513	2.4979	4.4666
H8	1.0815	2.1418	2.6231	3.8717	4.5419	1.7559	1.7556		2.4979	3.0513	4.4666
H9	2.1555	1.0816	2.0470	2.5962	2.6243	2.4911	3.0513	2.4979		1.7489	3.5859
H10	2.1555	1.0816	2.0470	2.5962	2.6243	2.4911	2.4979	3.0513	1.7489		3.5859
H11	4.3325	3.2662	1.9726	1.0871	2.0099	5.2733	4.4666	4.4666	3.5859	3.5859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.593	C1	C2	H9	111.904
C1	C2	H10	111.904	C2	C1	H6	109.692
C2	C1	H7	110.792	C2	C1	H8	110.792
C2	O3	C4	116.413	O3	C2	H9	108.736
O3	C2	H10	108.736	O3	C4	O5	125.737
O3	C4	H11	109.961	O5	C4	H11	124.302
H6	C1	H7	108.492	H6	C1	H8	108.492
H7	C1	H8	108.515	H9	C2	H10	107.887

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

using model chemistry: CISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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