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	hartrees
Energy at 0K	-267.776646
Energy at 298.15K	-267.783930
HF Energy	-266.888277
Nuclear repulsion energy	177.870053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3017	18.01
2	A'	3113	2949	5.76
3	A'	3109	2945	74.15
4	A'	3095	2931	13.52
5	A'	1807	1711	267.99
6	A'	1561	1478	9.69
7	A'	1539	1458	3.70
8	A'	1464	1386	24.31
9	A'	1426	1351	1.13
10	A'	1421	1346	1.44
11	A'	1240	1174	418.28
12	A'	1163	1102	9.52
13	A'	1069	1012	16.01
14	A'	886	839	11.25
15	A'	801	758	2.93
16	A'	391	370	6.08
17	A'	237	225	6.49
18	A"	3198	3029	29.40
19	A"	3166	2999	8.09
20	A"	1527	1446	8.86
21	A"	1335	1264	1.17
22	A"	1213	1149	4.74
23	A"	1047	992	0.00
24	A"	829	785	0.61
25	A"	353	334	21.23
26	A"	251	237	2.80
27	A"	79	75	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-2.172	-0.255	0.000
C2	-0.692	-0.559	0.000
O3	0.000	0.708	0.000
C4	1.337	0.613	0.000
O5	1.975	-0.410	0.000
H6	-2.743	-1.187	0.000
H7	-2.447	0.319	0.886
H8	-2.447	0.319	-0.886
H9	-0.387	-1.126	-0.883
H10	-0.387	-1.126	0.883
H11	1.768	1.623	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5106	2.3759	3.6149	4.1500	1.0924	1.0909	1.0909	2.1731	2.1731	4.3645
C2	1.5106		1.4438	2.3436	2.6715	2.1447	2.1528	2.1528	1.0923	1.0923	3.2884
O3	2.3759	1.4438		1.3406	2.2697	3.3336	2.6311	2.6311	2.0714	2.0714	1.9906
C4	3.6149	2.3436	1.3406		1.2056	4.4595	3.8975	3.8975	2.6027	2.6027	1.0980
O5	4.1500	2.6715	2.2697	1.2056		4.7817	4.5685	4.5685	2.6212	2.6212	2.0437
H6	1.0924	2.1447	3.3336	4.4595	4.7817		1.7717	1.7717	2.5168	2.5168	5.3142
H7	1.0909	2.1528	2.6311	3.8975	4.5685	1.7717		1.7713	3.0753	2.5161	4.4997
H8	1.0909	2.1528	2.6311	3.8975	4.5685	1.7717	1.7713		2.5161	3.0753	4.4997
H9	2.1731	1.0923	2.0714	2.6027	2.6212	2.5168	3.0753	2.5161		1.7652	3.6023
H10	2.1731	1.0923	2.0714	2.6027	2.6212	2.5168	2.5161	3.0753	1.7652		3.6023
H11	4.3645	3.2884	1.9906	1.0980	2.0437	5.3142	4.4997	4.4997	3.6023	3.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.042	C1	C2	H9	112.213
C1	C2	H10	112.213	C2	C1	H6	109.924
C2	C1	H7	110.663	C2	C1	H8	110.663
C2	O3	C4	114.581	O3	C2	H9	108.732
O3	C2	H10	108.732	O3	C4	O5	126.012
O3	C4	H11	109.019	O5	C4	H11	124.969
H6	C1	H7	108.487	H6	C1	H8	108.487
H7	C1	H8	108.554	H9	C2	H10	107.814

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

using model chemistry: MP2=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: MP2=FULL/6-311G*

States and conformations

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