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	hartrees
Energy at 0K	-268.026697
Energy at 298.15K
HF Energy	-266.941805
Nuclear repulsion energy	178.994991

Atom	x (Å)	y (Å)	z (Å)
C1	-2.164	-0.278	0.000
C2	-0.682	-0.563	0.000
O3	0.000	0.699	0.000
C4	1.326	0.625	0.000
O5	1.967	-0.380	0.000
H6	-2.715	-1.214	0.000
H7	-2.446	0.289	0.881
H8	-2.446	0.289	-0.881
H9	-0.378	-1.125	-0.877
H10	-0.378	-1.125	0.877
H11	1.750	1.629	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5092	2.3747	3.6052	4.1327	1.0859	1.0854	1.0854	2.1626	2.1626	4.3544
C2	1.5092		1.4340	2.3328	2.6556	2.1351	2.1479	2.1479	1.0854	1.0854	3.2739
O3	2.3747	1.4340		1.3279	2.2434	3.3216	2.6323	2.6323	2.0587	2.0587	1.9820
C4	3.6052	2.3328	1.3279		1.1918	4.4400	3.8882	3.8882	2.5951	2.5951	1.0900
O5	4.1327	2.6556	2.2434	1.1918		4.7564	4.5499	4.5499	2.6124	2.6124	2.0203
H6	1.0859	2.1351	3.3216	4.4400	4.7564		1.7629	1.7629	2.4981	2.4981	5.2938
H7	1.0854	2.1479	2.6323	3.8882	4.5499	1.7629		1.7628	3.0608	2.5052	4.4925
H8	1.0854	2.1479	2.6323	3.8882	4.5499	1.7629	1.7628		2.5052	3.0608	4.4925
H9	2.1626	1.0854	2.0587	2.5951	2.6124	2.4981	3.0608	2.5052		1.7541	3.5892
H10	2.1626	1.0854	2.0587	2.5951	2.6124	2.4981	2.5052	3.0608	1.7541		3.5892
H11	4.3544	3.2739	1.9820	1.0900	2.0203	5.2938	4.4925	4.4925	3.5892	3.5892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.553	C1	C2	H9	111.886
C1	C2	H10	111.886	C2	C1	H6	109.646
C2	C1	H7	110.699	C2	C1	H8	110.699
C2	O3	C4	115.213	O3	C2	H9	108.817
O3	C2	H10	108.817	O3	C4	O5	125.747
O3	C4	H11	109.716	O5	C4	H11	124.537
H6	C1	H7	108.568	H6	C1	H8	108.568
H7	C1	H8	108.601	H9	C2	H10	107.810

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

using model chemistry: MP3=FULL/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: MP3=FULL/Def2TZVPP

States and conformations

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