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	hartrees
Energy at 0K	-267.996328
Energy at 298.15K
HF Energy	-266.931203
Nuclear repulsion energy	179.325274

Atom	x (Å)	y (Å)	z (Å)
C1	-2.159	-0.274	0.000
C2	-0.682	-0.561	0.000
O3	0.000	0.697	0.000
C4	1.323	0.622	0.000
O5	1.964	-0.382	0.000
H6	-2.714	-1.206	0.000
H7	-2.438	0.294	0.880
H8	-2.438	0.294	-0.880
H9	-0.382	-1.123	-0.876
H10	-0.382	-1.123	0.876
H11	1.748	1.623	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5050	2.3675	3.5960	4.1244	1.0845	1.0840	1.0840	2.1561	2.1561	4.3434
C2	1.5050		1.4306	2.3279	2.6515	2.1321	2.1426	2.1426	1.0835	1.0835	3.2667
O3	2.3675	1.4306		1.3256	2.2410	3.3145	2.6234	2.6234	2.0560	2.0560	1.9781
C4	3.5960	2.3279	1.3256		1.1911	4.4317	3.8772	3.8772	2.5923	2.5923	1.0873
O5	4.1244	2.6515	2.2410	1.1911		4.7495	4.5399	4.5399	2.6108	2.6108	2.0169
H6	1.0845	2.1321	3.3145	4.4317	4.7495		1.7608	1.7608	2.4927	2.4927	5.2831
H7	1.0840	2.1426	2.6234	3.8772	4.5399	1.7608		1.7599	3.0533	2.4981	4.4795
H8	1.0840	2.1426	2.6234	3.8772	4.5399	1.7608	1.7599		2.4981	3.0533	4.4795
H9	2.1561	1.0835	2.0560	2.5923	2.6108	2.4927	3.0533	2.4981		1.7516	3.5839
H10	2.1561	1.0835	2.0560	2.5923	2.6108	2.4927	2.4981	3.0533	1.7516		3.5839
H11	4.3434	3.2667	1.9781	1.0873	2.0169	5.2831	4.4795	4.4795	3.5839	3.5839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.478	C1	C2	H9	111.774
C1	C2	H10	111.774	C2	C1	H6	109.779
C2	C1	H7	110.651	C2	C1	H8	110.651
C2	O3	C4	115.207	O3	C2	H9	108.945
O3	C2	H10	108.945	O3	C4	O5	125.773
O3	C4	H11	109.738	O5	C4	H11	124.489
H6	C1	H7	108.580	H6	C1	H8	108.580
H7	C1	H8	108.540	H9	C2	H10	107.863

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

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 HCOOC2H5 (Ethyl formate)

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

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