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	hartrees
Energy at 0K	-267.753186
Energy at 298.15K	-267.760484
HF Energy	-266.898519
Nuclear repulsion energy	178.134413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3014	23.85
2	A'	3100	2961	53.49
3	A'	3093	2954	25.14
4	A'	3074	2936	15.21
5	A'	1877	1793	304.93
6	A'	1552	1482	7.86
7	A'	1525	1457	2.18
8	A'	1467	1402	19.96
9	A'	1442	1378	1.46
10	A'	1425	1361	0.76
11	A'	1269	1212	450.40
12	A'	1164	1111	8.74
13	A'	1077	1028	12.68
14	A'	899	859	11.80
15	A'	812	776	4.85
16	A'	393	375	6.00
17	A'	239	229	6.55
18	A"	3165	3023	39.06
19	A"	3136	2995	7.48
20	A"	1510	1442	5.34
21	A"	1333	1273	2.09
22	A"	1212	1157	4.47
23	A"	1078	1030	0.35
24	A"	829	791	0.07
25	A"	343	327	22.09
26	A"	245	234	2.82
27	A"	78	74	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.174	-0.268	0.000
C2	-0.685	-0.563	0.000
O3	0.000	0.701	0.000
C4	1.334	0.620	0.000
O5	1.975	-0.390	0.000
H6	-2.737	-1.207	0.000
H7	-2.451	0.306	0.889
H8	-2.451	0.306	-0.889
H9	-0.383	-1.133	-0.884
H10	-0.383	-1.133	0.884
H11	1.758	1.634	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5178	2.3804	3.6189	4.1503	1.0950	1.0940	1.0940	2.1761	2.1761	4.3678
C2	1.5178		1.4377	2.3401	2.6651	2.1514	2.1596	2.1596	1.0946	1.0946	3.2853
O3	2.3804	1.4377		1.3366	2.2561	3.3372	2.6368	2.6368	2.0719	2.0719	1.9899
C4	3.6189	2.3401	1.3366		1.1960	4.4630	3.9007	3.9007	2.6085	2.6085	1.0991
O5	4.1503	2.6651	2.2561	1.1960		4.7825	4.5673	4.5673	2.6256	2.6256	2.0359
H6	1.0950	2.1514	3.3372	4.4630	4.7825		1.7786	1.7786	2.5159	2.5159	5.3180
H7	1.0940	2.1596	2.6368	3.9007	4.5673	1.7786		1.7773	3.0805	2.5191	4.5017
H8	1.0940	2.1596	2.6368	3.9007	4.5673	1.7786	1.7773		2.5191	3.0805	4.5017
H9	2.1761	1.0946	2.0719	2.6085	2.6256	2.5159	3.0805	2.5191		1.7690	3.6087
H10	2.1761	1.0946	2.0719	2.6085	2.6256	2.5159	2.5191	3.0805	1.7690		3.6087
H11	4.3678	3.2853	1.9899	1.0991	2.0359	5.3180	4.5017	4.5017	3.6087	3.6087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.274	C1	C2	H9	111.790
C1	C2	H10	111.790	C2	C1	H6	109.794
C2	C1	H7	110.503	C2	C1	H8	110.503
C2	O3	C4	114.970	O3	C2	H9	109.060
O3	C2	H10	109.060	O3	C4	O5	125.858
O3	C4	H11	109.178	O5	C4	H11	124.964
H6	C1	H7	108.679	H6	C1	H8	108.679
H7	C1	H8	108.635	H9	C2	H10	107.817

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

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

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