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	hartrees
Energy at 0K	-267.657454
Energy at 298.15K
HF Energy	-266.843540
Nuclear repulsion energy	177.475354

Atom	x (Å)	y (Å)	z (Å)
C1	-2.180	-0.262	0.000
C2	-0.698	-0.568	0.000
O3	0.000	0.700	0.000
C4	1.339	0.624	0.000
O5	1.989	-0.396	0.000
H6	-2.745	-1.194	0.000
H7	-2.454	0.311	0.885
H8	-2.454	0.311	-0.885
H9	-0.395	-1.131	-0.883
H10	-0.395	-1.131	0.883
H11	1.765	1.631	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5133	2.3827	3.6288	4.1707	1.0906	1.0894	1.0894	2.1725	2.1725	4.3751
C2	1.5133		1.4478	2.3602	2.6922	2.1412	2.1543	2.1543	1.0899	1.0899	3.3014
O3	2.3827	1.4478		1.3414	2.2708	3.3357	2.6380	2.6380	2.0712	2.0712	1.9950
C4	3.6288	2.3602	1.3414		1.2089	4.4711	3.9079	3.9079	2.6207	2.6207	1.0930
O5	4.1707	2.6922	2.2708	1.2089		4.8012	4.5851	4.5851	2.6465	2.6465	2.0386
H6	1.0906	2.1412	3.3357	4.4711	4.8012		1.7701	1.7701	2.5114	2.5114	5.3219
H7	1.0894	2.1543	2.6380	3.9079	4.5851	1.7701		1.7706	3.0732	2.5136	4.5085
H8	1.0894	2.1543	2.6380	3.9079	4.5851	1.7701	1.7706		2.5136	3.0732	4.5085
H9	2.1725	1.0899	2.0712	2.6207	2.6465	2.5114	3.0732	2.5136		1.7657	3.6156
H10	2.1725	1.0899	2.0712	2.6207	2.6465	2.5114	2.5136	3.0732	1.7657		3.6156
H11	4.3751	3.3014	1.9950	1.0930	2.0386	5.3219	4.5085	4.5085	3.6156	3.6156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.136	C1	C2	H9	112.115
C1	C2	H10	112.115	C2	C1	H6	109.563
C2	C1	H7	110.675	C2	C1	H8	110.675
C2	O3	C4	115.551	O3	C2	H9	108.585
O3	C2	H10	108.585	O3	C4	O5	125.769
O3	C4	H11	109.650	O5	C4	H11	124.581
H6	C1	H7	108.578	H6	C1	H8	108.578
H7	C1	H8	108.716	H9	C2	H10	108.196

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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