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	hartrees
Energy at 0K	-267.937300
Energy at 298.15K
HF Energy	-266.940843
Nuclear repulsion energy	178.312806

Atom	x (Å)	y (Å)	z (Å)
C1	-2.170	-0.270	0.000
C2	-0.688	-0.564	0.000
O3	0.000	0.702	0.000
C4	1.332	0.622	0.000
O5	1.975	-0.389	0.000
H6	-2.729	-1.206	0.000
H7	-2.450	0.300	0.884
H8	-2.450	0.300	-0.884
H9	-0.383	-1.127	-0.880
H10	-0.383	-1.127	0.880
H11	1.758	1.629	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5110	2.3781	3.6140	4.1471	1.0898	1.0890	1.0890	2.1689	2.1689	4.3632
C2	1.5110		1.4406	2.3423	2.6689	2.1396	2.1527	2.1527	1.0888	1.0888	3.2849
O3	2.3781	1.4406		1.3341	2.2563	3.3298	2.6358	2.6358	2.0656	2.0656	1.9874
C4	3.6140	2.3423	1.3341		1.1985	4.4534	3.8974	3.8974	2.6029	2.6029	1.0931
O5	4.1471	2.6689	2.2563	1.1985		4.7746	4.5652	4.5652	2.6229	2.6229	2.0294
H6	1.0898	2.1396	3.3298	4.4534	4.7746		1.7686	1.7686	2.5072	2.5072	5.3075
H7	1.0890	2.1527	2.6358	3.8974	4.5652	1.7686		1.7686	3.0701	2.5124	4.5008
H8	1.0890	2.1527	2.6358	3.8974	4.5652	1.7686	1.7686		2.5124	3.0701	4.5008
H9	2.1689	1.0888	2.0656	2.6029	2.6229	2.5072	3.0701	2.5124		1.7606	3.5990
H10	2.1689	1.0888	2.0656	2.6029	2.6229	2.5072	2.5124	3.0701	1.7606		3.5990
H11	4.3632	3.2849	1.9874	1.0931	2.0294	5.3075	4.5008	4.5008	3.5990	3.5990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.330	C1	C2	H9	112.058
C1	C2	H10	112.058	C2	C1	H6	109.650
C2	C1	H7	110.735	C2	C1	H8	110.735
C2	O3	C4	115.108	O3	C2	H9	108.701
O3	C2	H10	108.701	O3	C4	O5	125.887
O3	C4	H11	109.526	O5	C4	H11	124.587
H6	C1	H7	108.535	H6	C1	H8	108.535
H7	C1	H8	108.589	H9	C2	H10	107.903

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

using model chemistry: CCSD/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: CCSD/Def2TZVPP

States and conformations

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