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	hartrees
Energy at 0K	-267.655322
Energy at 298.15K	-267.662607
HF Energy	-266.847800
Nuclear repulsion energy	177.667992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3022	19.57
2	A'	3119	2957	57.52
3	A'	3109	2947	23.00
4	A'	3096	2935	16.37
5	A'	1898	1799	301.83
6	A'	1530	1450	6.51
7	A'	1503	1425	1.99
8	A'	1448	1373	17.84
9	A'	1434	1359	4.13
10	A'	1401	1328	0.85
11	A'	1271	1205	442.65
12	A'	1155	1095	9.90
13	A'	1080	1024	14.73
14	A'	894	848	10.36
15	A'	811	769	4.88
16	A'	390	370	6.46
17	A'	239	227	6.21
18	A"	3193	3027	30.59
19	A"	3157	2992	13.70
20	A"	1488	1410	5.17
21	A"	1314	1245	1.72
22	A"	1196	1133	4.73
23	A"	1075	1019	0.39
24	A"	817	775	0.24
25	A"	345	327	20.37
26	A"	246	233	2.80
27	A"	77	73	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-2.176	-0.267	0.000
C2	-0.684	-0.560	0.000
O3	0.000	0.707	0.000
C4	1.337	0.619	0.000
O5	1.973	-0.398	0.000
H6	-2.744	-1.212	0.000
H7	-2.457	0.312	0.894
H8	-2.457	0.312	-0.894
H9	-0.380	-1.137	-0.890
H10	-0.380	-1.137	0.890
H11	1.770	1.639	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5198	2.3839	3.6229	4.1510	1.1025	1.1021	1.1021	2.1848	2.1848	4.3818
C2	1.5198		1.4404	2.3405	2.6625	2.1599	2.1688	2.1688	1.1029	1.1029	3.2955
O3	2.3839	1.4404		1.3399	2.2618	3.3483	2.6444	2.6444	2.0821	2.0821	2.0002
C4	3.6229	2.3405	1.3399		1.2002	4.4728	3.9102	3.9102	2.6119	2.6119	1.1078
O5	4.1510	2.6625	2.2618	1.2002		4.7865	4.5752	4.5752	2.6215	2.6215	2.0476
H6	1.1025	2.1599	3.3483	4.4728	4.7865		1.7903	1.7903	2.5270	2.5270	5.3386
H7	1.1021	2.1688	2.6444	3.9102	4.5752	1.7903		1.7885	3.0980	2.5328	4.5196
H8	1.1021	2.1688	2.6444	3.9102	4.5752	1.7903	1.7885		2.5328	3.0980	4.5196
H9	2.1848	1.1029	2.0821	2.6119	2.6215	2.5270	3.0980	2.5328		1.7793	3.6216
H10	2.1848	1.1029	2.0821	2.6119	2.6215	2.5270	2.5328	3.0980	1.7793		3.6216
H11	4.3818	3.2955	2.0002	1.1078	2.0476	5.3386	4.5196	4.5196	3.6216	3.6216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.246	C1	C2	H9	111.834
C1	C2	H10	111.834	C2	C1	H6	109.888
C2	C1	H7	110.608	C2	C1	H8	110.608
C2	O3	C4	114.611	O3	C2	H9	109.176
O3	C2	H10	109.176	O3	C4	O5	125.766
O3	C4	H11	109.235	O5	C4	H11	124.999
H6	C1	H7	108.604	H6	C1	H8	108.604
H7	C1	H8	108.469	H9	C2	H10	107.534

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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