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	hartrees
Energy at 0K	-267.940327
Energy at 298.15K
HF Energy	-266.940569
Nuclear repulsion energy	178.187155

Atom	x (Å)	y (Å)	z (Å)
C1	-2.171	-0.268	0.000
C2	-0.689	-0.563	0.000
O3	0.000	0.703	0.000
C4	1.333	0.621	0.000
O5	1.976	-0.393	0.000
H6	-2.731	-1.204	0.000
H7	-2.451	0.302	0.884
H8	-2.451	0.302	-0.884
H9	-0.384	-1.126	-0.881
H10	-0.384	-1.126	0.881
H11	1.760	1.628	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5111	2.3789	3.6159	4.1489	1.0900	1.0892	1.0892	2.1696	2.1696	4.3652
C2	1.5111		1.4418	2.3439	2.6703	2.1399	2.1530	2.1530	1.0890	1.0890	3.2866
O3	2.3789	1.4418		1.3358	2.2592	3.3310	2.6365	2.6365	2.0663	2.0663	1.9885
C4	3.6159	2.3439	1.3358		1.2002	4.4554	3.8995	3.8995	2.6034	2.6034	1.0934
O5	4.1489	2.6703	2.2592	1.2002		4.7760	4.5674	4.5674	2.6230	2.6230	2.0319
H6	1.0900	2.1399	3.3310	4.4554	4.7760		1.7689	1.7689	2.5082	2.5082	5.3096
H7	1.0892	2.1530	2.6365	3.8995	4.5674	1.7689		1.7689	3.0709	2.5131	4.5030
H8	1.0892	2.1530	2.6365	3.8995	4.5674	1.7689	1.7689		2.5131	3.0709	4.5030
H9	2.1696	1.0890	2.0663	2.6034	2.6230	2.5082	3.0709	2.5131		1.7610	3.5998
H10	2.1696	1.0890	2.0663	2.6034	2.6230	2.5082	2.5131	3.0709	1.7610		3.5998
H11	4.3652	3.2866	1.9885	1.0934	2.0319	5.3096	4.5030	4.5030	3.5998	3.5998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.316	C1	C2	H9	112.091
C1	C2	H10	112.091	C2	C1	H6	109.648
C2	C1	H7	110.739	C2	C1	H8	110.739
C2	O3	C4	115.047	O3	C2	H9	108.668
O3	C2	H10	108.668	O3	C4	O5	125.865
O3	C4	H11	109.479	O5	C4	H11	124.656
H6	C1	H7	108.533	H6	C1	H8	108.533
H7	C1	H8	108.588	H9	C2	H10	107.912

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

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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