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	hartrees
Energy at 0K	-267.971991
Energy at 298.15K
HF Energy	-266.928617
Nuclear repulsion energy	177.747700

Atom	x (Å)	y (Å)	z (Å)
C1	-2.174	-0.262	0.000
C2	-0.691	-0.560	0.000
O3	0.000	0.712	0.000
C4	1.339	0.617	0.000
O5	1.974	-0.408	0.000
H6	-2.737	-1.197	0.000
H7	-2.452	0.311	0.886
H8	-2.452	0.311	-0.886
H9	-0.384	-1.124	-0.882
H10	-0.384	-1.124	0.882
H11	1.772	1.623	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5131	2.3821	3.6209	4.1507	1.0916	1.0907	1.0907	2.1737	2.1737	4.3734
C2	1.5131		1.4472	2.3458	2.6691	2.1436	2.1554	2.1554	1.0911	1.0911	3.2911
O3	2.3821	1.4472		1.3421	2.2696	3.3370	2.6379	2.6379	2.0729	2.0729	1.9929
C4	3.6209	2.3458	1.3421		1.2057	4.4613	3.9050	3.9050	2.6034	2.6034	1.0957
O5	4.1507	2.6691	2.2696	1.2057		4.7771	4.5709	4.5709	2.6179	2.6179	2.0409
H6	1.0916	2.1436	3.3370	4.4613	4.7771		1.7716	1.7716	2.5141	2.5141	5.3187
H7	1.0907	2.1554	2.6379	3.9050	4.5709	1.7716		1.7713	3.0758	2.5170	4.5114
H8	1.0907	2.1554	2.6379	3.9050	4.5709	1.7716	1.7713		2.5170	3.0758	4.5114
H9	2.1737	1.0911	2.0729	2.6034	2.6179	2.5141	3.0758	2.5170		1.7644	3.6023
H10	2.1737	1.0911	2.0729	2.6034	2.6179	2.5141	2.5170	3.0758	1.7644		3.6023
H11	4.3734	3.2911	1.9929	1.0957	2.0409	5.3187	4.5114	4.5114	3.6023	3.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.139	C1	C2	H9	112.155
C1	C2	H10	112.155	C2	C1	H6	109.707
C2	C1	H7	110.699	C2	C1	H8	110.699
C2	O3	C4	114.440	O3	C2	H9	108.693
O3	C2	H10	108.693	O3	C4	O5	125.866
O3	C4	H11	109.256	O5	C4	H11	124.877
H6	C1	H7	108.547	H6	C1	H8	108.547
H7	C1	H8	108.583	H9	C2	H10	107.911

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

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