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	hartrees
Energy at 0K	-267.727904
Energy at 298.15K
HF Energy	-266.863035
Nuclear repulsion energy	176.498666

Atom	x (Å)	y (Å)	z (Å)
C1	-2.189	-0.265	0.000
C2	-0.697	-0.566	0.000
O3	0.000	0.713	0.000
C4	1.346	0.624	0.000
O5	1.990	-0.405	0.000
H6	-2.754	-1.213	0.000
H7	-2.471	0.312	0.896
H8	-2.471	0.312	-0.896
H9	-0.386	-1.134	-0.893
H10	-0.386	-1.134	0.893
H11	1.784	1.639	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5221	2.3973	3.6451	4.1804	1.1035	1.1025	1.1025	2.1906	2.1906	4.4054
C2	1.5221		1.4568	2.3645	2.6909	2.1565	2.1731	2.1731	1.1023	1.1023	3.3193
O3	2.3973	1.4568		1.3494	2.2821	3.3605	2.6589	2.6589	2.0874	2.0874	2.0100
C4	3.6451	2.3645	1.3494		1.2133	4.4929	3.9336	3.9336	2.6248	2.6248	1.1055
O5	4.1804	2.6909	2.2821	1.2133		4.8116	4.6057	4.6057	2.6406	2.6406	2.0545
H6	1.1035	2.1565	3.3605	4.4929	4.8116		1.7909	1.7909	2.5313	2.5313	5.3597
H7	1.1025	2.1731	2.6589	3.9336	4.6057	1.7909		1.7920	3.1039	2.5367	4.5463
H8	1.1025	2.1731	2.6589	3.9336	4.6057	1.7909	1.7920		2.5367	3.1039	4.5463
H9	2.1906	1.1023	2.0874	2.6248	2.6406	2.5313	3.1039	2.5367		1.7853	3.6328
H10	2.1906	1.1023	2.0874	2.6248	2.6406	2.5313	2.5367	3.1039	1.7853		3.6328
H11	4.4054	3.3193	2.0100	1.1055	2.0545	5.3597	4.5463	4.5463	3.6328	3.6328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.153	C1	C2	H9	112.189
C1	C2	H10	112.189	C2	C1	H6	109.405
C2	C1	H7	110.773	C2	C1	H8	110.773
C2	O3	C4	114.776	O3	C2	H9	108.517
O3	C2	H10	108.517	O3	C4	O5	125.792
O3	C4	H11	109.522	O5	C4	H11	124.686
H6	C1	H7	108.555	H6	C1	H8	108.555
H7	C1	H8	108.719	H9	C2	H10	108.159

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

using model chemistry: QCISD/aug-cc-pVDZ

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: QCISD/aug-cc-pVDZ

States and conformations

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