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	hartrees
Energy at 0K	-267.970600
Energy at 298.15K
HF Energy	-266.928792
Nuclear repulsion energy	177.810030

Atom	x (Å)	y (Å)	z (Å)
C1	-2.173	-0.263	0.000
C2	-0.690	-0.560	0.000
O3	0.000	0.711	0.000
C4	1.338	0.617	0.000
O5	1.974	-0.406	0.000
H6	-2.737	-1.198	0.000
H7	-2.452	0.310	0.886
H8	-2.452	0.310	-0.886
H9	-0.384	-1.125	-0.882
H10	-0.384	-1.125	0.882
H11	1.771	1.624	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5130	2.3816	3.6199	4.1500	1.0915	1.0907	1.0907	2.1734	2.1734	4.3724
C2	1.5130		1.4465	2.3451	2.6686	2.1437	2.1553	2.1553	1.0910	1.0910	3.2905
O3	2.3816	1.4465		1.3410	2.2680	3.3366	2.6374	2.6374	2.0725	2.0725	1.9925
C4	3.6199	2.3451	1.3410		1.2050	4.4606	3.9037	3.9037	2.6034	2.6034	1.0955
O5	4.1500	2.6686	2.2680	1.2050		4.7770	4.5699	4.5699	2.6183	2.6183	2.0395
H6	1.0915	2.1437	3.3366	4.4606	4.7770		1.7715	1.7715	2.5138	2.5138	5.3180
H7	1.0907	2.1553	2.6374	3.9037	4.5699	1.7715		1.7710	3.0755	2.5168	4.5102
H8	1.0907	2.1553	2.6374	3.9037	4.5699	1.7715	1.7710		2.5168	3.0755	4.5102
H9	2.1734	1.0910	2.0725	2.6034	2.6183	2.5138	3.0755	2.5168		1.7641	3.6023
H10	2.1734	1.0910	2.0725	2.6034	2.6183	2.5138	2.5168	3.0755	1.7641		3.6023
H11	4.3724	3.2905	1.9925	1.0955	2.0395	5.3180	4.5102	4.5102	3.6023	3.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.146	C1	C2	H9	112.139
C1	C2	H10	112.139	C2	C1	H6	109.727
C2	C1	H7	110.699	C2	C1	H8	110.699
C2	O3	C4	114.500	O3	C2	H9	108.712
O3	C2	H10	108.712	O3	C4	O5	125.871
O3	C4	H11	109.308	O5	C4	H11	124.821
H6	C1	H7	108.545	H6	C1	H8	108.545
H7	C1	H8	108.567	H9	C2	H10	107.898

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

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

States and conformations

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