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	hartrees
Energy at 0K	-267.804679
Energy at 298.15K	-267.811944
HF Energy	-266.856549
Nuclear repulsion energy	178.342924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3008	15.85
2	A'	3114	2945	6.90
3	A'	3109	2939	54.96
4	A'	3098	2930	10.99
5	A'	1861	1760	274.56
6	A'	1554	1469	7.75
7	A'	1530	1446	2.07
8	A'	1459	1379	14.29
9	A'	1439	1361	1.90
10	A'	1422	1344	1.29
11	A'	1267	1198	399.45
12	A'	1159	1095	9.50
13	A'	1071	1012	14.58
14	A'	889	841	9.23
15	A'	809	765	3.50
16	A'	387	366	6.18
17	A'	235	222	6.96
18	A"	3189	3015	25.10
19	A"	3159	2987	5.81
20	A"	1518	1435	4.68
21	A"	1323	1250	1.33
22	A"	1209	1143	4.28
23	A"	1082	1023	0.38
24	A"	821	776	0.49
25	A"	350	331	20.62
26	A"	243	230	2.12
27	A"	73	69	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.262	0.000
C2	-0.684	-0.561	0.000
O3	0.000	0.705	0.000
C4	1.331	0.616	0.000
O5	1.970	-0.399	0.000
H6	-2.736	-1.196	0.000
H7	-2.446	0.312	0.886
H8	-2.446	0.312	-0.886
H9	-0.379	-1.128	-0.882
H10	-0.379	-1.128	0.882
H11	1.760	1.625	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5152	2.3748	3.6083	4.1409	1.0921	1.0914	1.0914	2.1757	2.1757	4.3586
C2	1.5152		1.4388	2.3331	2.6583	2.1481	2.1571	2.1571	1.0920	1.0920	3.2789
O3	2.3748	1.4388		1.3338	2.2576	3.3312	2.6307	2.6307	2.0692	2.0692	1.9859
C4	3.6083	2.3331	1.3338		1.1987	4.4519	3.8909	3.8909	2.5966	2.5966	1.0969
O5	4.1409	2.6583	2.2576	1.1987		4.7726	4.5592	4.5592	2.6125	2.6125	2.0348
H6	1.0921	2.1481	3.3312	4.4519	4.7726		1.7727	1.7727	2.5178	2.5178	5.3074
H7	1.0914	2.1571	2.6307	3.8909	4.5592	1.7727		1.7715	3.0779	2.5197	4.4938
H8	1.0914	2.1571	2.6307	3.8909	4.5592	1.7727	1.7715		2.5197	3.0779	4.4938
H9	2.1757	1.0920	2.0692	2.5966	2.6125	2.5178	3.0779	2.5197		1.7639	3.5964
H10	2.1757	1.0920	2.0692	2.5966	2.6125	2.5178	2.5197	3.0779	1.7639		3.5964
H11	4.3586	3.2789	1.9859	1.0969	2.0348	5.3074	4.4938	4.4938	3.5964	3.5964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.985	C1	C2	H9	112.104
C1	C2	H10	112.104	C2	C1	H6	109.887
C2	C1	H7	110.640	C2	C1	H8	110.640
C2	O3	C4	114.545	O3	C2	H9	108.922
O3	C2	H10	108.922	O3	C4	O5	126.027
O3	C4	H11	109.186	O5	C4	H11	124.787
H6	C1	H7	108.558	H6	C1	H8	108.558
H7	C1	H8	108.497	H9	C2	H10	107.732

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

using model chemistry: CCSD/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: CCSD/6-31G(2df,p)

States and conformations

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