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	hartrees
Energy at 0K	-267.823274
Energy at 298.15K
HF Energy	-266.919087
Nuclear repulsion energy	177.099234

Atom	x (Å)	y (Å)	z (Å)
C1	-2.181	-0.257	0.000
C2	-0.698	-0.560	0.000
O3	0.000	0.713	0.000
C4	1.345	0.617	0.000
O5	1.984	-0.414	0.000
H6	-2.744	-1.194	0.000
H7	-2.457	0.314	0.889
H8	-2.457	0.314	-0.889
H9	-0.394	-1.125	-0.885
H10	-0.394	-1.125	0.885
H11	1.776	1.626	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5142	2.3873	3.6329	4.1683	1.0933	1.0919	1.0919	2.1747	2.1747	4.3824
C2	1.5142		1.4521	2.3576	2.6858	2.1423	2.1564	2.1564	1.0928	1.0928	3.3014
O3	2.3873	1.4521		1.3486	2.2821	3.3419	2.6430	2.6430	2.0778	2.0778	1.9968
C4	3.6329	2.3576	1.3486		1.2129	4.4721	3.9162	3.9162	2.6157	2.6157	1.0975
O5	4.1683	2.6858	2.2821	1.2129		4.7920	4.5874	4.5874	2.6355	2.6355	2.0508
H6	1.0933	2.1423	3.3419	4.4721	4.7920		1.7744	1.7744	2.5118	2.5118	5.3277
H7	1.0919	2.1564	2.6430	3.9162	4.5874	1.7744		1.7771	3.0777	2.5151	4.5197
H8	1.0919	2.1564	2.6430	3.9162	4.5874	1.7744	1.7771		2.5151	3.0777	4.5197
H9	2.1747	1.0928	2.0778	2.6157	2.6355	2.5118	3.0777	2.5151		1.7706	3.6139
H10	2.1747	1.0928	2.0778	2.6157	2.6355	2.5118	2.5151	3.0777	1.7706		3.6139
H11	4.3824	3.3014	1.9968	1.0975	2.0508	5.3277	4.5197	4.5197	3.6139	3.6139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.163	C1	C2	H9	112.046
C1	C2	H10	112.046	C2	C1	H6	109.428
C2	C1	H7	110.628	C2	C1	H8	110.628
C2	O3	C4	114.606	O3	C2	H9	108.637
O3	C2	H10	108.637	O3	C4	O5	125.902
O3	C4	H11	109.009	O5	C4	H11	125.089
H6	C1	H7	108.589	H6	C1	H8	108.589
H7	C1	H8	108.929	H9	C2	H10	108.211

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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