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	hartrees
Energy at 0K	-268.047669
Energy at 298.15K
HF Energy	-266.929567
Nuclear repulsion energy	178.358188

Atom	x (Å)	y (Å)	z (Å)
C1	-2.166	-0.261	0.000
C2	-0.689	-0.558	0.000
O3	0.000	0.709	0.000
C4	1.334	0.615	0.000
O5	1.968	-0.407	0.000
H6	-2.728	-1.193	0.000
H7	-2.442	0.310	0.883
H8	-2.442	0.310	-0.883
H9	-0.387	-1.120	-0.879
H10	-0.387	-1.120	0.879
H11	1.767	1.616	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5068	2.3734	3.6083	4.1372	1.0879	1.0871	1.0871	2.1629	2.1629	4.3582
C2	1.5068		1.4416	2.3384	2.6617	2.1352	2.1463	2.1463	1.0867	1.0867	3.2797
O3	2.3734	1.4416		1.3374	2.2625	3.3250	2.6274	2.6274	2.0659	2.0659	1.9864
C4	3.6083	2.3384	1.3374		1.2026	4.4458	3.8902	3.8902	2.5973	2.5973	1.0905
O5	4.1372	2.6617	2.2625	1.2026		4.7613	4.5549	4.5549	2.6133	2.6133	2.0325
H6	1.0879	2.1352	3.3250	4.4458	4.7613		1.7663	1.7663	2.5015	2.5015	5.3001
H7	1.0871	2.1463	2.6274	3.8902	4.5549	1.7663		1.7659	3.0621	2.5042	4.4949
H8	1.0871	2.1463	2.6274	3.8902	4.5549	1.7663	1.7659		2.5042	3.0621	4.4949
H9	2.1629	1.0867	2.0659	2.5973	2.6133	2.5015	3.0621	2.5042		1.7585	3.5915
H10	2.1629	1.0867	2.0659	2.5973	2.6133	2.5015	2.5042	3.0621	1.7585		3.5915
H11	4.3582	3.2797	1.9864	1.0905	2.0325	5.3001	4.4949	4.4949	3.5915	3.5915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.192	C1	C2	H9	111.999
C1	C2	H10	111.999	C2	C1	H6	109.701
C2	C1	H7	110.631	C2	C1	H8	110.631
C2	O3	C4	114.531	O3	C2	H9	108.779
O3	C2	H10	108.779	O3	C4	O5	125.850
O3	C4	H11	109.380	O5	C4	H11	124.770
H6	C1	H7	108.599	H6	C1	H8	108.599
H7	C1	H8	108.624	H9	C2	H10	108.010

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

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