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	hartrees
Energy at 0K	-267.653052
Energy at 298.15K	-267.660277
HF Energy	-266.842132
Nuclear repulsion energy	177.227851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3034	16.37
2	A'	3170	2978	44.51
3	A'	3152	2961	16.13
4	A'	3134	2943	14.12
5	A'	1774	1667	320.71
6	A'	1563	1468	6.68
7	A'	1547	1453	3.49
8	A'	1472	1383	20.58
9	A'	1427	1340	2.73
10	A'	1422	1336	5.77
11	A'	1236	1161	422.01
12	A'	1165	1094	5.74
13	A'	1064	999	16.22
14	A'	874	821	14.97
15	A'	787	739	2.48
16	A'	386	362	5.13
17	A'	229	216	7.65
18	A"	3246	3049	24.96
19	A"	3214	3018	6.60
20	A"	1534	1440	7.14
21	A"	1322	1242	1.12
22	A"	1209	1136	4.51
23	A"	1044	981	0.05
24	A"	832	782	0.18
25	A"	350	328	23.48
26	A"	247	232	3.05
27	A"	65	61	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.248	0.000
C2	-0.703	-0.563	0.000
O3	0.000	0.708	0.000
C4	1.343	0.616	0.000
O5	1.987	-0.418	0.000
H6	-2.748	-1.175	0.000
H7	-2.448	0.325	0.884
H8	-2.448	0.325	-0.884
H9	-0.399	-1.123	-0.882
H10	-0.399	-1.123	0.882
H11	1.774	1.620	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5078	2.3784	3.6256	4.1679	1.0888	1.0872	1.0872	2.1696	2.1696	4.3708
C2	1.5078		1.4526	2.3618	2.6937	2.1347	2.1479	2.1479	1.0885	1.0885	3.3015
O3	2.3784	1.4526		1.3466	2.2839	3.3317	2.6309	2.6309	2.0719	2.0719	1.9944
C4	3.6256	2.3618	1.3466		1.2180	4.4665	3.9040	3.9040	2.6155	2.6155	1.0923
O5	4.1679	2.6937	2.2839	1.2180		4.7949	4.5825	4.5825	2.6397	2.6397	2.0494
H6	1.0888	2.1347	3.3317	4.4665	4.7949		1.7667	1.7667	2.5095	2.5095	5.3162
H7	1.0872	2.1479	2.6309	3.9040	4.5825	1.7667		1.7679	3.0680	2.5087	4.5038
H8	1.0872	2.1479	2.6309	3.9040	4.5825	1.7667	1.7679		2.5087	3.0680	4.5038
H9	2.1696	1.0885	2.0719	2.6155	2.6397	2.5095	3.0680	2.5087		1.7643	3.6093
H10	2.1696	1.0885	2.0719	2.6155	2.6397	2.5095	2.5087	3.0680	1.7643		3.6093
H11	4.3708	3.3015	1.9944	1.0923	2.0494	5.3162	4.5038	4.5038	3.6093	3.6093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.895	C1	C2	H9	112.366
C1	C2	H10	112.366	C2	C1	H6	109.533
C2	C1	H7	110.677	C2	C1	H8	110.677
C2	O3	C4	115.023	O3	C2	H9	108.396
O3	C2	H10	108.396	O3	C4	O5	125.803
O3	C4	H11	109.277	O5	C4	H11	124.920
H6	C1	H7	108.555	H6	C1	H8	108.555
H7	C1	H8	108.786	H9	C2	H10	108.278

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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