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	hartrees
Energy at 0K	-268.046296
Energy at 298.15K
HF Energy	-266.929720
Nuclear repulsion energy	178.421164

Atom	x (Å)	y (Å)	z (Å)
C1	-2.166	-0.261	0.000
C2	-0.689	-0.558	0.000
O3	0.000	0.707	0.000
C4	1.333	0.616	0.000
O5	1.968	-0.405	0.000
H6	-2.728	-1.192	0.000
H7	-2.441	0.310	0.883
H8	-2.441	0.310	-0.883
H9	-0.387	-1.121	-0.879
H10	-0.387	-1.121	0.879
H11	1.765	1.617	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5067	2.3725	3.6072	4.1366	1.0878	1.0870	1.0870	2.1628	2.1628	4.3568
C2	1.5067		1.4410	2.3380	2.6615	2.1359	2.1460	2.1460	1.0866	1.0866	3.2793
O3	2.3725	1.4410		1.3364	2.2608	3.3246	2.6262	2.6262	2.0655	2.0655	1.9859
C4	3.6072	2.3380	1.3364		1.2018	4.4458	3.8884	3.8884	2.5975	2.5975	1.0905
O5	4.1366	2.6615	2.2608	1.2018		4.7623	4.5537	4.5537	2.6138	2.6138	2.0316
H6	1.0878	2.1359	3.3246	4.4458	4.7623		1.7662	1.7662	2.5024	2.5024	5.2996
H7	1.0870	2.1460	2.6262	3.8884	4.5537	1.7662		1.7651	3.0618	2.5044	4.4925
H8	1.0870	2.1460	2.6262	3.8884	4.5537	1.7662	1.7651		2.5044	3.0618	4.4925
H9	2.1628	1.0866	2.0655	2.5975	2.6138	2.5024	3.0618	2.5044		1.7579	3.5918
H10	2.1628	1.0866	2.0655	2.5975	2.6138	2.5024	2.5044	3.0618	1.7579		3.5918
H11	4.3568	3.2793	1.9859	1.0905	2.0316	5.2996	4.4925	4.4925	3.5918	3.5918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.181	C1	C2	H9	112.008
C1	C2	H10	112.008	C2	C1	H6	109.773
C2	C1	H7	110.623	C2	C1	H8	110.623
C2	O3	C4	114.614	O3	C2	H9	108.794
O3	C2	H10	108.794	O3	C4	O5	125.841
O3	C4	H11	109.410	O5	C4	H11	124.749
H6	C1	H7	108.601	H6	C1	H8	108.601
H7	C1	H8	108.563	H9	C2	H10	107.973

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

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

States and conformations

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