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	hartrees
Energy at 0K	-267.948816
Energy at 298.15K
HF Energy	-266.933475
Nuclear repulsion energy	178.197016

Atom	x (Å)	y (Å)	z (Å)
C1	-2.171	-0.270	0.000
C2	-0.689	-0.565	0.000
O3	0.000	0.703	0.000
C4	1.332	0.623	0.000
O5	1.975	-0.390	0.000
H6	-2.730	-1.206	0.000
H7	-2.451	0.301	0.885
H8	-2.451	0.301	-0.885
H9	-0.382	-1.127	-0.882
H10	-0.382	-1.127	0.882
H11	1.759	1.630	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5113	2.3788	3.6151	4.1480	1.0906	1.0898	1.0898	2.1707	2.1707	4.3655
C2	1.5113		1.4424	2.3442	2.6697	2.1398	2.1538	2.1538	1.0899	1.0899	3.2879
O3	2.3788	1.4424		1.3345	2.2574	3.3312	2.6366	2.6366	2.0668	2.0668	1.9889
C4	3.6151	2.3442	1.3345		1.2003	4.4552	3.8985	3.8985	2.6039	2.6039	1.0936
O5	4.1480	2.6697	2.2574	1.2003		4.7757	4.5665	4.5665	2.6227	2.6227	2.0316
H6	1.0906	2.1398	3.3312	4.4552	4.7757		1.7701	1.7701	2.5093	2.5093	5.3104
H7	1.0898	2.1538	2.6366	3.8985	4.5665	1.7701		1.7701	3.0727	2.5139	4.5029
H8	1.0898	2.1538	2.6366	3.8985	4.5665	1.7701	1.7701		2.5139	3.0727	4.5029
H9	2.1707	1.0899	2.0668	2.6039	2.6227	2.5093	3.0727	2.5139		1.7638	3.6008
H10	2.1707	1.0899	2.0668	2.6039	2.6227	2.5093	2.5139	3.0727	1.7638		3.6008
H11	4.3655	3.2879	1.9889	1.0936	2.0316	5.3104	4.5029	4.5029	3.6008	3.6008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.267	C1	C2	H9	112.115
C1	C2	H10	112.115	C2	C1	H6	109.593
C2	C1	H7	110.746	C2	C1	H8	110.746
C2	O3	C4	115.109	O3	C2	H9	108.607
O3	C2	H10	108.607	O3	C4	O5	125.812
O3	C4	H11	109.590	O5	C4	H11	124.598
H6	C1	H7	108.549	H6	C1	H8	108.549
H7	C1	H8	108.598	H9	C2	H10	108.028

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

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