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	hartrees
Energy at 0K	-267.669117
Energy at 298.15K
HF Energy	-266.842620
Nuclear repulsion energy	177.090503

Atom	x (Å)	y (Å)	z (Å)
C1	-2.183	-0.258	0.000
C2	-0.701	-0.568	0.000
O3	0.000	0.704	0.000
C4	1.343	0.623	0.000
O5	1.991	-0.404	0.000
H6	-2.751	-1.190	0.000
H7	-2.456	0.316	0.886
H8	-2.456	0.316	-0.886
H9	-0.397	-1.130	-0.884
H10	-0.397	-1.130	0.884
H11	1.771	1.629	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5137	2.3854	3.6343	4.1769	1.0915	1.0901	1.0901	2.1747	2.1747	4.3807
C2	1.5137		1.4526	2.3657	2.6977	2.1418	2.1553	2.1553	1.0904	1.0904	3.3070
O3	2.3854	1.4526		1.3458	2.2792	3.3398	2.6399	2.6399	2.0742	2.0742	1.9976
C4	3.6343	2.3657	1.3458		1.2140	4.4771	3.9135	3.9135	2.6230	2.6230	1.0935
O5	4.1769	2.6977	2.2792	1.2140		4.8069	4.5919	4.5919	2.6483	2.6483	2.0449
H6	1.0915	2.1418	3.3398	4.4771	4.8069		1.7713	1.7713	2.5145	2.5145	5.3281
H7	1.0901	2.1553	2.6399	3.9135	4.5919	1.7713		1.7719	3.0756	2.5156	4.5142
H8	1.0901	2.1553	2.6399	3.9135	4.5919	1.7713	1.7719		2.5156	3.0756	4.5142
H9	2.1747	1.0904	2.0742	2.6230	2.6483	2.5145	3.0756	2.5156		1.7673	3.6182
H10	2.1747	1.0904	2.0742	2.6230	2.6483	2.5145	2.5156	3.0756	1.7673		3.6182
H11	4.3807	3.3070	1.9976	1.0935	2.0449	5.3281	4.5142	4.5142	3.6182	3.6182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.042	C1	C2	H9	112.235
C1	C2	H10	112.235	C2	C1	H6	109.530
C2	C1	H7	110.686	C2	C1	H8	110.686
C2	O3	C4	115.373	O3	C2	H9	108.467
O3	C2	H10	108.467	O3	C4	O5	125.764
O3	C4	H11	109.526	O5	C4	H11	124.711
H6	C1	H7	108.577	H6	C1	H8	108.577
H7	C1	H8	108.728	H9	C2	H10	108.268

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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