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	hartrees
Energy at 0K	-267.240930
Energy at 298.15K
HF Energy	-266.692272
Nuclear repulsion energy	173.826013

Atom	x (Å)	y (Å)	z (Å)
C1	-2.223	-0.251	0.000
C2	-0.733	-0.597	0.000
O3	0.000	0.700	0.000
C4	1.375	0.642	0.000
O5	2.042	-0.397	0.000
H6	-2.822	-1.176	0.000
H7	-2.481	0.338	0.893
H8	-2.481	0.338	-0.893
H9	-0.433	-1.168	-0.892
H10	-0.433	-1.168	0.892
H11	1.793	1.656	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5297	2.4173	3.7068	4.2677	1.1024	1.1003	1.1003	2.2004	2.2004	4.4455
C2	1.5297		1.4895	2.4451	2.7824	2.1681	2.1745	2.1745	1.1009	1.1009	3.3848
O3	2.4173	1.4895		1.3763	2.3184	3.3886	2.6617	2.6617	2.1146	2.1146	2.0323
C4	3.7068	2.4451	1.3763		1.2351	4.5740	3.9699	3.9699	2.7092	2.7092	1.0968
O5	4.2677	2.7824	2.3184	1.2351		4.9266	4.6691	4.6691	2.7416	2.7416	2.0682
H6	1.1024	2.1681	3.3886	4.5740	4.9266		1.7902	1.7902	2.5507	2.5507	5.4149
H7	1.1003	2.1745	2.6617	3.9699	4.6691	1.7902		1.7866	3.1066	2.5423	4.5614
H8	1.1003	2.1745	2.6617	3.9699	4.6691	1.7902	1.7866		2.5423	3.1066	4.5614
H9	2.2004	1.1009	2.1146	2.7092	2.7416	2.5507	3.1066	2.5423		1.7843	3.7048
H10	2.2004	1.1009	2.1146	2.7092	2.7416	2.5507	2.5423	3.1066	1.7843		3.7048
H11	4.4455	3.3848	2.0323	1.0968	2.0682	5.4149	4.5614	4.5614	3.7048	3.7048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.375	C1	C2	H9	112.521
C1	C2	H10	112.521	C2	C1	H6	109.853
C2	C1	H7	110.477	C2	C1	H8	110.477
C2	O3	C4	117.064	O3	C2	H9	108.506
O3	C2	H10	108.506	O3	C4	O5	125.112
O3	C4	H11	110.012	O5	C4	H11	124.876
H6	C1	H7	108.718	H6	C1	H8	108.718
H7	C1	H8	108.551	H9	C2	H10	108.268

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

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

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