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	hartrees
Energy at 0K	-267.795386
Energy at 298.15K	-267.802695
HF Energy	-266.889875
Nuclear repulsion energy	178.494345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3171	22.13
2	A'	3118	3118	52.21
3	A'	3110	3110	22.88
4	A'	3089	3089	14.29
5	A'	1897	1897	319.57
6	A'	1566	1566	9.20
7	A'	1537	1537	3.72
8	A'	1474	1474	21.43
9	A'	1446	1446	2.68
10	A'	1436	1436	0.14
11	A'	1283	1283	448.62
12	A'	1172	1172	11.41
13	A'	1084	1084	15.63
14	A'	904	904	10.59
15	A'	819	819	4.29
16	A'	396	396	6.78
17	A'	242	242	7.03
18	A"	3180	3180	37.46
19	A"	3152	3152	5.88
20	A"	1525	1525	8.22
21	A"	1342	1342	1.49
22	A"	1218	1218	4.98
23	A"	1075	1075	0.14
24	A"	829	829	0.39
25	A"	345	345	23.76
26	A"	246	246	3.02
27	A"	80	80	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.273	0.000
C2	-0.683	-0.564	0.000
O3	0.000	0.700	0.000
C4	1.329	0.622	0.000
O5	1.971	-0.385	0.000
H6	-2.733	-1.209	0.000
H7	-2.449	0.301	0.886
H8	-2.449	0.301	-0.886
H9	-0.377	-1.131	-0.882
H10	-0.377	-1.131	0.882
H11	1.757	1.633	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5140	2.3771	3.6111	4.1412	1.0929	1.0919	1.0919	2.1739	2.1739	4.3643
C2	1.5140		1.4365	2.3361	2.6600	2.1487	2.1565	2.1565	1.0928	1.0928	3.2837
O3	2.3771	1.4365		1.3317	2.2495	3.3335	2.6349	2.6349	2.0673	2.0673	1.9897
C4	3.6111	2.3361	1.3317		1.1939	4.4559	3.8944	3.8944	2.6011	2.6011	1.0978
O5	4.1412	2.6600	2.2495	1.1939		4.7752	4.5596	4.5596	2.6170	2.6170	2.0294
H6	1.0929	2.1487	3.3335	4.4559	4.7752		1.7733	1.7733	2.5165	2.5165	5.3139
H7	1.0919	2.1565	2.6349	3.8944	4.5596	1.7733		1.7722	3.0773	2.5185	4.5004
H8	1.0919	2.1565	2.6349	3.8944	4.5596	1.7733	1.7722		2.5185	3.0773	4.5004
H9	2.1739	1.0928	2.0673	2.6011	2.6170	2.5165	3.0773	2.5185		1.7646	3.6023
H10	2.1739	1.0928	2.0673	2.6011	2.6170	2.5165	2.5185	3.0773	1.7646		3.6023
H11	4.3643	3.2837	1.9897	1.0978	2.0294	5.3139	4.5004	4.5004	3.6023	3.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.320	C1	C2	H9	111.999
C1	C2	H10	111.999	C2	C1	H6	109.974
C2	C1	H7	110.651	C2	C1	H8	110.651
C2	O3	C4	115.060	O3	C2	H9	108.884
O3	C2	H10	108.884	O3	C4	O5	125.829
O3	C4	H11	109.590	O5	C4	H11	124.581
H6	C1	H7	108.509	H6	C1	H8	108.509
H7	C1	H8	108.482	H9	C2	H10	107.685

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)