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	hartrees
Energy at 0K	-267.661638
Energy at 298.15K	-267.668913
HF Energy	-266.847375
Nuclear repulsion energy	177.432485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3033	20.37
2	A'	3100	2966	57.19
3	A'	3092	2958	25.43
4	A'	3079	2946	16.99
5	A'	1882	1801	293.14
6	A'	1527	1461	6.26
7	A'	1502	1437	1.89
8	A'	1447	1385	18.16
9	A'	1426	1364	3.09
10	A'	1400	1340	1.51
11	A'	1264	1209	442.25
12	A'	1153	1103	9.04
13	A'	1076	1029	14.06
14	A'	891	852	10.80
15	A'	807	772	4.76
16	A'	389	372	6.21
17	A'	238	227	6.13
18	A"	3177	3039	31.65
19	A"	3141	3005	13.59
20	A"	1486	1422	4.95
21	A"	1310	1253	1.63
22	A"	1194	1143	4.65
23	A"	1070	1023	0.40
24	A"	817	781	0.18
25	A"	344	329	20.25
26	A"	246	235	2.76
27	A"	77	74	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.263	0.000
C2	-0.688	-0.561	0.000
O3	0.000	0.706	0.000
C4	1.339	0.618	0.000
O5	1.978	-0.401	0.000
H6	-2.750	-1.207	0.000
H7	-2.458	0.318	0.895
H8	-2.458	0.318	-0.895
H9	-0.384	-1.138	-0.891
H10	-0.384	-1.138	0.891
H11	1.771	1.640	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5200	2.3841	3.6260	4.1580	1.1039	1.1033	1.1033	2.1861	2.1861	4.3835
C2	1.5200		1.4418	2.3447	2.6699	2.1615	2.1699	2.1699	1.1042	1.1042	3.2996
O3	2.3841	1.4418		1.3423	2.2665	3.3503	2.6446	2.6446	2.0842	2.0842	2.0019
C4	3.6260	2.3447	1.3423		1.2022	4.4782	3.9129	3.9129	2.6167	2.6167	1.1094
O5	4.1580	2.6699	2.2665	1.2022		4.7960	4.5818	4.5818	2.6295	2.6295	2.0512
H6	1.1039	2.1615	3.3503	4.4782	4.7960		1.7924	1.7924	2.5293	2.5293	5.3427
H7	1.1033	2.1699	2.6446	3.9129	4.5818	1.7924		1.7905	3.1005	2.5343	4.5202
H8	1.1033	2.1699	2.6446	3.9129	4.5818	1.7924	1.7905		2.5343	3.1005	4.5202
H9	2.1861	1.1042	2.0842	2.6167	2.6295	2.5293	3.1005	2.5343		1.7818	3.6270
H10	2.1861	1.1042	2.0842	2.6167	2.6295	2.5293	2.5343	3.1005	1.7818		3.6270
H11	4.3835	3.2996	2.0019	1.1094	2.0512	5.3427	4.5202	4.5202	3.6270	3.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.178	C1	C2	H9	111.846
C1	C2	H10	111.846	C2	C1	H6	109.912
C2	C1	H7	110.605	C2	C1	H8	110.605
C2	O3	C4	114.696	O3	C2	H9	109.179
O3	C2	H10	109.179	O3	C4	O5	125.853
O3	C4	H11	109.109	O5	C4	H11	125.038
H6	C1	H7	108.597	H6	C1	H8	108.597
H7	C1	H8	108.467	H9	C2	H10	107.571

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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