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	hartrees
Energy at 0K	-267.625717
Energy at 298.15K
HF Energy	-266.824839
Nuclear repulsion energy	176.913920

Atom	x (Å)	y (Å)	z (Å)
C1	-2.181	-0.252	0.000
C2	-0.697	-0.564	0.000
O3	0.000	0.713	0.000
C4	1.344	0.616	0.000
O5	1.983	-0.417	0.000
H6	-2.758	-1.186	0.000
H7	-2.454	0.327	0.891
H8	-2.454	0.327	-0.891
H9	-0.391	-1.132	-0.887
H10	-0.391	-1.132	0.887
H11	1.783	1.627	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5162	2.3850	3.6308	4.1677	1.0980	1.0966	1.0966	2.1833	2.1833	4.3869
C2	1.5162		1.4546	2.3582	2.6846	2.1527	2.1613	2.1613	1.0972	1.0972	3.3093
O3	2.3850	1.4546		1.3478	2.2824	3.3486	2.6388	2.6388	2.0842	2.0842	2.0037
C4	3.6308	2.3582	1.3478		1.2147	4.4809	3.9118	3.9118	2.6182	2.6182	1.1018
O5	4.1677	2.6846	2.2824	1.2147		4.8034	4.5862	4.5862	2.6335	2.6335	2.0536
H6	1.0980	2.1527	3.3486	4.4809	4.8034		1.7819	1.7819	2.5285	2.5285	5.3419
H7	1.0966	2.1613	2.6388	3.9118	4.5862	1.7819		1.7813	3.0894	2.5267	4.5204
H8	1.0966	2.1613	2.6388	3.9118	4.5862	1.7819	1.7813		2.5267	3.0894	4.5204
H9	2.1833	1.0972	2.0842	2.6182	2.6335	2.5285	3.0894	2.5267		1.7741	3.6230
H10	2.1833	1.0972	2.0842	2.6182	2.6335	2.5285	2.5267	3.0894	1.7741		3.6230
H11	4.3869	3.3093	2.0037	1.1018	2.0536	5.3419	4.5204	4.5204	3.6230	3.6230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.778	C1	C2	H9	112.326
C1	C2	H10	112.326	C2	C1	H6	109.830
C2	C1	H7	110.598	C2	C1	H8	110.598
C2	O3	C4	114.537	O3	C2	H9	108.710
O3	C2	H10	108.710	O3	C4	O5	125.844
O3	C4	H11	109.351	O5	C4	H11	124.805
H6	C1	H7	108.568	H6	C1	H8	108.568
H7	C1	H8	108.622	H9	C2	H10	107.889

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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