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	hartrees
Energy at 0K	-267.920906
Energy at 298.15K
HF Energy	-266.930466
Nuclear repulsion energy	178.531533

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.271	0.000
C2	-0.686	-0.563	0.000
O3	0.000	0.699	0.000
C4	1.330	0.622	0.000
O5	1.973	-0.386	0.000
H6	-2.728	-1.206	0.000
H7	-2.449	0.300	0.884
H8	-2.449	0.300	-0.884
H9	-0.383	-1.129	-0.880
H10	-0.383	-1.129	0.880
H11	1.755	1.630	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5111	2.3759	3.6106	4.1433	1.0893	1.0886	1.0886	2.1674	2.1674	4.3595
C2	1.5111		1.4369	2.3384	2.6651	2.1411	2.1523	2.1523	1.0889	1.0889	3.2812
O3	2.3759	1.4369		1.3320	2.2519	3.3277	2.6338	2.6338	2.0645	2.0645	1.9860
C4	3.6106	2.3384	1.3320		1.1959	4.4508	3.8938	3.8938	2.6025	2.6025	1.0936
O5	4.1433	2.6651	2.2519	1.1959		4.7726	4.5611	4.5611	2.6225	2.6225	2.0275
H6	1.0893	2.1411	3.3277	4.4508	4.7726		1.7678	1.7678	2.5062	2.5062	5.3045
H7	1.0886	2.1523	2.6338	3.8938	4.5611	1.7678		1.7672	3.0687	2.5114	4.4964
H8	1.0886	2.1523	2.6338	3.8938	4.5611	1.7678	1.7672		2.5114	3.0687	4.4964
H9	2.1674	1.0889	2.0645	2.6025	2.6225	2.5062	3.0687	2.5114		1.7597	3.5989
H10	2.1674	1.0889	2.0645	2.6025	2.6225	2.5062	2.5114	3.0687	1.7597		3.5989
H11	4.3595	3.2812	1.9860	1.0936	2.0275	5.3045	4.4964	4.4964	3.5989	3.5989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.373	C1	C2	H9	111.924
C1	C2	H10	111.924	C2	C1	H6	109.785
C2	C1	H7	110.723	C2	C1	H8	110.723
C2	O3	C4	115.195	O3	C2	H9	108.869
O3	C2	H10	108.869	O3	C4	O5	125.872
O3	C4	H11	109.541	O5	C4	H11	124.587
H6	C1	H7	108.517	H6	C1	H8	108.517
H7	C1	H8	108.513	H9	C2	H10	107.812

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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