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	hartrees
Energy at 0K	-267.835847
Energy at 298.15K	-267.843164
HF Energy	-266.857579
Nuclear repulsion energy	179.146255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3222	12.85
2	A'	3147	3147	9.02
3	A'	3134	3134	8.78
4	A'	3130	3130	52.07
5	A'	1906	1906	296.08
6	A'	1567	1567	8.13
7	A'	1546	1546	2.01
8	A'	1471	1471	14.89
9	A'	1456	1456	2.08
10	A'	1434	1434	0.34
11	A'	1294	1294	413.65
12	A'	1173	1173	10.85
13	A'	1091	1091	13.75
14	A'	905	905	8.27
15	A'	824	824	4.63
16	A'	392	392	6.37
17	A'	238	238	7.19
18	A"	3229	3229	19.75
19	A"	3193	3193	7.51
20	A"	1536	1536	5.20
21	A"	1346	1346	1.41
22	A"	1219	1219	4.60
23	A"	1105	1105	0.48
24	A"	831	831	0.62
25	A"	355	355	20.61
26	A"	249	249	2.28
27	A"	76	76	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-2.161	-0.265	0.000
C2	-0.679	-0.560	0.000
O3	0.000	0.699	0.000
C4	1.323	0.615	0.000
O5	1.963	-0.390	0.000
H6	-2.724	-1.196	0.000
H7	-2.437	0.307	0.883
H8	-2.437	0.307	-0.883
H9	-0.377	-1.127	-0.879
H10	-0.377	-1.127	0.879
H11	1.749	1.624	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5107	2.3664	3.5933	4.1257	1.0882	1.0876	1.0876	2.1675	2.1675	4.3423
C2	1.5107		1.4312	2.3219	2.6478	2.1416	2.1496	2.1496	1.0886	1.0886	3.2660
O3	2.3664	1.4312		1.3256	2.2449	3.3189	2.6215	2.6215	2.0618	2.0618	1.9783
C4	3.5933	2.3219	1.3256		1.1917	4.4342	3.8744	3.8744	2.5881	2.5881	1.0947
O5	4.1257	2.6478	2.2449	1.1917		4.7562	4.5414	4.5414	2.6059	2.6059	2.0248
H6	1.0882	2.1416	3.3189	4.4342	4.7562		1.7666	1.7666	2.5075	2.5075	5.2880
H7	1.0876	2.1496	2.6215	3.8744	4.5414	1.7666		1.7655	3.0666	2.5102	4.4762
H8	1.0876	2.1496	2.6215	3.8744	4.5414	1.7666	1.7655		2.5102	3.0666	4.4762
H9	2.1675	1.0886	2.0618	2.5881	2.6059	2.5075	3.0666	2.5102		1.7573	3.5860
H10	2.1675	1.0886	2.0618	2.5881	2.6059	2.5075	2.5102	3.0666	1.7573		3.5860
H11	4.3423	3.2660	1.9783	1.0947	2.0248	5.2880	4.4762	4.4762	3.5860	3.5860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.070	C1	C2	H9	111.977
C1	C2	H10	111.977	C2	C1	H6	109.925
C2	C1	H7	110.595	C2	C1	H8	110.595
C2	O3	C4	114.703	O3	C2	H9	109.061
O3	C2	H10	109.061	O3	C4	O5	126.120
O3	C4	H11	109.281	O5	C4	H11	124.599
H6	C1	H7	108.576	H6	C1	H8	108.576
H7	C1	H8	108.515	H9	C2	H10	107.641

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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