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	hartrees
Energy at 0K	-267.915915
Energy at 298.15K
HF Energy	-266.928542
Nuclear repulsion energy	178.789260

Atom	x (Å)	y (Å)	z (Å)
C1	-2.167	-0.279	0.000
C2	-0.682	-0.567	0.000
O3	0.000	0.695	0.000
C4	1.325	0.628	0.000
O5	1.971	-0.375	0.000
H6	-2.722	-1.216	0.000
H7	-2.449	0.290	0.883
H8	-2.449	0.290	-0.883
H9	-0.377	-1.130	-0.880
H10	-0.377	-1.130	0.880
H11	1.747	1.637	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5121	2.3757	3.6082	4.1395	1.0888	1.0882	1.0882	2.1687	2.1687	4.3583
C2	1.5121		1.4344	2.3365	2.6608	2.1404	2.1533	2.1533	1.0889	1.0889	3.2805
O3	2.3757	1.4344		1.3271	2.2429	3.3257	2.6349	2.6349	2.0613	2.0613	1.9853
C4	3.6082	2.3365	1.3271		1.1929	4.4477	3.8913	3.8913	2.6011	2.6011	1.0937
O5	4.1395	2.6608	2.2429	1.1929		4.7683	4.5568	4.5568	2.6194	2.6194	2.0243
H6	1.0888	2.1404	3.3257	4.4477	4.7683		1.7671	1.7671	2.5062	2.5062	5.3024
H7	1.0882	2.1533	2.6349	3.8913	4.5568	1.7671		1.7668	3.0697	2.5125	4.4952
H8	1.0882	2.1533	2.6349	3.8913	4.5568	1.7671	1.7668		2.5125	3.0697	4.4952
H9	2.1687	1.0889	2.0613	2.6011	2.6194	2.5062	3.0697	2.5125		1.7604	3.5984
H10	2.1687	1.0889	2.0613	2.6011	2.6194	2.5062	2.5125	3.0697	1.7604		3.5984
H11	4.3583	3.2805	1.9853	1.0937	2.0243	5.3024	4.4952	4.4952	3.5984	3.5984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.439	C1	C2	H9	111.951
C1	C2	H10	111.951	C2	C1	H6	109.687
C2	C1	H7	110.746	C2	C1	H8	110.746
C2	O3	C4	115.525	O3	C2	H9	108.780
O3	C2	H10	108.780	O3	C4	O5	125.674
O3	C4	H11	109.816	O5	C4	H11	124.510
H6	C1	H7	108.525	H6	C1	H8	108.525
H7	C1	H8	108.549	H9	C2	H10	107.861

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

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

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