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	hartrees
Energy at 0K	-267.844424
Energy at 298.15K	-267.851743
HF Energy	-266.899045
Nuclear repulsion energy	178.545655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	22.71
2	A'	3125	3125	53.54
3	A'	3116	3116	23.16
4	A'	3098	3098	14.46
5	A'	1898	1898	315.11
6	A'	1555	1555	8.45
7	A'	1526	1526	2.31
8	A'	1471	1471	19.51
9	A'	1451	1451	2.08
10	A'	1426	1426	0.20
11	A'	1282	1282	450.54
12	A'	1168	1168	9.66
13	A'	1085	1085	13.40
14	A'	905	905	11.05
15	A'	819	819	5.24
16	A'	395	395	6.31
17	A'	242	242	6.65
18	A"	3188	3188	37.10
19	A"	3158	3158	8.12
20	A"	1511	1511	5.68
21	A"	1339	1339	2.23
22	A"	1214	1214	4.54
23	A"	1086	1086	0.35
24	A"	830	830	0.11
25	A"	345	345	22.16
26	A"	246	246	2.86
27	A"	79	79	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.273	0.000
C2	-0.681	-0.561	0.000
O3	0.000	0.701	0.000
C4	1.330	0.621	0.000
O5	1.968	-0.387	0.000
H6	-2.728	-1.212	0.000
H7	-2.448	0.301	0.887
H8	-2.448	0.301	-0.887
H9	-0.379	-1.130	-0.883
H10	-0.379	-1.130	0.883
H11	1.755	1.633	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5157	2.3776	3.6118	4.1390	1.0932	1.0923	1.0923	2.1726	2.1726	4.3620
C2	1.5157		1.4343	2.3333	2.6551	2.1481	2.1565	2.1565	1.0929	1.0929	3.2783
O3	2.3776	1.4343		1.3328	2.2490	3.3321	2.6342	2.6342	2.0680	2.0680	1.9867
C4	3.6118	2.3333	1.3328		1.1931	4.4534	3.8941	3.8941	2.6015	2.6015	1.0972
O5	4.1390	2.6551	2.2490	1.1931		4.7685	4.5565	4.5565	2.6154	2.6154	2.0314
H6	1.0932	2.1481	3.3321	4.4534	4.7685		1.7756	1.7756	2.5112	2.5112	5.3094
H7	1.0923	2.1565	2.6342	3.8941	4.5565	1.7756		1.7743	3.0758	2.5156	4.4970
H8	1.0923	2.1565	2.6342	3.8941	4.5565	1.7756	1.7743		2.5156	3.0758	4.4970
H9	2.1726	1.0929	2.0680	2.6015	2.6154	2.5112	3.0758	2.5156		1.7652	3.6009
H10	2.1726	1.0929	2.0680	2.6015	2.6154	2.5112	2.5156	3.0758	1.7652		3.6009
H11	4.3620	3.2783	1.9867	1.0972	2.0314	5.3094	4.4970	4.4970	3.6009	3.6009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.375	C1	C2	H9	111.765
C1	C2	H10	111.765	C2	C1	H6	109.791
C2	C1	H7	110.510	C2	C1	H8	110.510
C2	O3	C4	114.915	O3	C2	H9	109.082
O3	C2	H10	109.082	O3	C4	O5	125.759
O3	C4	H11	109.309	O5	C4	H11	124.931
H6	C1	H7	108.680	H6	C1	H8	108.680
H7	C1	H8	108.621	H9	C2	H10	107.724

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

using model chemistry: MP3=FULL/6-311G**

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/6-311G**

States and conformations

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