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	hartrees
Energy at 0K	-268.213287
Energy at 298.15K	-268.220495
HF Energy	-267.922116
Nuclear repulsion energy	177.609615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3147	27.64
2	A'	3093	3093	11.35
3	A'	3082	3082	76.59
4	A'	3073	3073	18.32
5	A'	1799	1799	289.04
6	A'	1553	1553	8.59
7	A'	1532	1532	3.19
8	A'	1455	1455	20.16
9	A'	1420	1420	1.50
10	A'	1415	1415	3.06
11	A'	1218	1218	409.13
12	A'	1152	1152	12.34
13	A'	1046	1046	18.05
14	A'	869	869	14.13
15	A'	795	795	1.62
16	A'	385	385	5.96
17	A'	230	230	6.84
18	A"	3159	3159	46.51
19	A"	3133	3133	3.26
20	A"	1520	1520	7.96
21	A"	1325	1325	1.19
22	A"	1203	1203	4.54
23	A"	1039	1039	0.04
24	A"	824	824	0.52
25	A"	350	350	21.91
26	A"	240	240	2.29
27	A"	65	65	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.267	0.000
C2	-0.697	-0.569	0.000
O3	0.000	0.700	0.000
C4	1.338	0.623	0.000
O5	1.989	-0.388	0.000
H6	-2.748	-1.197	0.000
H7	-2.457	0.307	0.884
H8	-2.457	0.307	-0.884
H9	-0.390	-1.135	-0.881
H10	-0.390	-1.135	0.881
H11	1.754	1.638	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5117	2.3829	3.6268	4.1691	1.0917	1.0905	1.0905	2.1740	2.1740	4.3688
C2	1.5117		1.4481	2.3586	2.6924	2.1453	2.1560	2.1560	1.0909	1.0909	3.2984
O3	2.3829	1.4481		1.3402	2.2674	3.3397	2.6408	2.6408	2.0724	2.0724	1.9889
C4	3.6268	2.3586	1.3402		1.2027	4.4734	3.9095	3.9095	2.6179	2.6179	1.0971
O5	4.1691	2.6924	2.2674	1.2027		4.8062	4.5864	4.5864	2.6451	2.6451	2.0402
H6	1.0917	2.1453	3.3397	4.4734	4.8062		1.7694	1.7694	2.5180	2.5180	5.3206
H7	1.0905	2.1560	2.6408	3.9095	4.5864	1.7694		1.7688	3.0769	2.5200	4.5037
H8	1.0905	2.1560	2.6408	3.9095	4.5864	1.7694	1.7688		2.5200	3.0769	4.5037
H9	2.1740	1.0909	2.0724	2.6179	2.6451	2.5180	3.0769	2.5200		1.7622	3.6143
H10	2.1740	1.0909	2.0724	2.6179	2.6451	2.5180	2.5200	3.0769	1.7622		3.6143
H11	4.3688	3.2984	1.9889	1.0971	2.0402	5.3206	4.5037	4.5037	3.6143	3.6143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.217	C1	C2	H9	112.285
C1	C2	H10	112.285	C2	C1	H6	109.935
C2	C1	H7	110.857	C2	C1	H8	110.857
C2	O3	C4	115.481	O3	C2	H9	108.603
O3	C2	H10	108.603	O3	C4	O5	126.079
O3	C4	H11	108.966	O5	C4	H11	124.955
H6	C1	H7	108.361	H6	C1	H8	108.361
H7	C1	H8	108.392	H9	C2	H10	107.741

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

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