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	hartrees
Energy at 0K	-267.924806
Energy at 298.15K
HF Energy	-266.927868
Nuclear repulsion energy	178.368149

Atom	x (Å)	y (Å)	z (Å)
C1	-2.170	-0.271	0.000
C2	-0.688	-0.567	0.000
O3	0.000	0.697	0.000
C4	1.330	0.624	0.000
O5	1.977	-0.383	0.000
H6	-2.731	-1.206	0.000
H7	-2.450	0.301	0.885
H8	-2.450	0.301	-0.885
H9	-0.382	-1.130	-0.882
H10	-0.382	-1.130	0.882
H11	1.753	1.634	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5118	2.3762	3.6127	4.1484	1.0906	1.0898	1.0898	2.1711	2.1711	4.3613
C2	1.5118		1.4389	2.3431	2.6707	2.1411	2.1544	2.1544	1.0903	1.0903	3.2867
O3	2.3762	1.4389		1.3318	2.2526	3.3288	2.6349	2.6349	2.0648	2.0648	1.9878
C4	3.6127	2.3431	1.3318		1.1975	4.4546	3.8956	3.8956	2.6055	2.6055	1.0947
O5	4.1484	2.6707	2.2526	1.1975		4.7792	4.5658	4.5658	2.6267	2.6267	2.0298
H6	1.0906	2.1411	3.3288	4.4546	4.7792		1.7697	1.7697	2.5103	2.5103	5.3081
H7	1.0898	2.1544	2.6349	3.8956	4.5658	1.7697		1.7696	3.0733	2.5148	4.4975
H8	1.0898	2.1544	2.6349	3.8956	4.5658	1.7697	1.7696		2.5148	3.0733	4.4975
H9	2.1711	1.0903	2.0648	2.6055	2.6267	2.5103	3.0733	2.5148		1.7637	3.6028
H10	2.1711	1.0903	2.0648	2.6055	2.6267	2.5103	2.5148	3.0733	1.7637		3.6028
H11	4.3613	3.2867	1.9878	1.0947	2.0298	5.3081	4.4975	4.4975	3.6028	3.6028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.255	C1	C2	H9	112.093
C1	C2	H10	112.093	C2	C1	H6	109.663
C2	C1	H7	110.764	C2	C1	H8	110.764
C2	O3	C4	115.429	O3	C2	H9	108.670
O3	C2	H10	108.670	O3	C4	O5	125.813
O3	C4	H11	109.623	O5	C4	H11	124.564
H6	C1	H7	108.514	H6	C1	H8	108.514
H7	C1	H8	108.559	H9	C2	H10	107.964

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

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

States and conformations

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