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	hartrees
Energy at 0K	-267.702047
Energy at 298.15K	-267.709257
HF Energy	-266.862703
Nuclear repulsion energy	176.659795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3080	15.62
2	A'	3122	3026	44.16
3	A'	3103	3007	15.29
4	A'	3082	2987	13.21
5	A'	1744	1691	303.34
6	A'	1509	1462	7.71
7	A'	1492	1446	2.07
8	A'	1418	1374	16.85
9	A'	1384	1342	1.61
10	A'	1376	1334	2.64
11	A'	1203	1166	409.14
12	A'	1138	1103	6.84
13	A'	1048	1015	18.58
14	A'	857	831	12.59
15	A'	777	753	1.81
16	A'	377	366	4.99
17	A'	229	222	7.07
18	A"	3189	3091	26.11
19	A"	3160	3063	4.93
20	A"	1480	1435	6.05
21	A"	1294	1254	1.43
22	A"	1176	1140	3.48
23	A"	1031	999	0.16
24	A"	812	787	0.48
25	A"	347	336	20.06
26	A"	243	236	2.76
27	A"	76	74	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.183	-0.254	0.000
C2	-0.699	-0.561	0.000
O3	0.000	0.717	0.000
C4	1.347	0.617	0.000
O5	1.983	-0.421	0.000
H6	-2.751	-1.196	0.000
H7	-2.461	0.322	0.893
H8	-2.461	0.322	-0.893
H9	-0.388	-1.127	-0.891
H10	-0.388	-1.127	0.891
H11	1.788	1.628	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5156	2.3891	3.6355	4.1694	1.1001	1.0988	1.0988	2.1850	2.1850	4.3941
C2	1.5156		1.4572	2.3606	2.6856	2.1482	2.1643	2.1643	1.0996	1.0996	3.3131
O3	2.3891	1.4572		1.3507	2.2871	3.3510	2.6478	2.6478	2.0846	2.0846	2.0064
C4	3.6355	2.3606	1.3507		1.2178	4.4810	3.9223	3.9223	2.6164	2.6164	1.1033
O5	4.1694	2.6856	2.2871	1.2178		4.7973	4.5937	4.5937	2.6299	2.6299	2.0590
H6	1.1001	2.1482	3.3510	4.4810	4.7973		1.7851	1.7851	2.5257	2.5257	5.3457
H7	1.0988	2.1643	2.6478	3.9223	4.5937	1.7851		1.7868	3.0946	2.5287	4.5338
H8	1.0988	2.1643	2.6478	3.9223	4.5937	1.7851	1.7868		2.5287	3.0946	4.5338
H9	2.1850	1.0996	2.0846	2.6164	2.6299	2.5257	3.0946	2.5287		1.7812	3.6222
H10	2.1850	1.0996	2.0846	2.6164	2.6299	2.5257	2.5287	3.0946	1.7812		3.6222
H11	4.3941	3.3131	2.0064	1.1033	2.0590	5.3457	4.5338	4.5338	3.6222	3.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.944	C1	C2	H9	112.362
C1	C2	H10	112.362	C2	C1	H6	109.402
C2	C1	H7	110.747	C2	C1	H8	110.747
C2	O3	C4	114.374	O3	C2	H9	108.428
O3	C2	H10	108.428	O3	C4	O5	125.779
O3	C4	H11	109.278	O5	C4	H11	124.943
H6	C1	H7	108.547	H6	C1	H8	108.547
H7	C1	H8	108.793	H9	C2	H10	108.180

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

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