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	hartrees
Energy at 0K	-268.213290
Energy at 298.15K
HF Energy	-267.922118
Nuclear repulsion energy	177.611241

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	11.52
3	A'	3081	3081	76.32
4	A'	3073	3073	18.40
5	A'	1799	1799	288.98
6	A'	1553	1553	8.59
7	A'	1532	1532	3.18
8	A'	1456	1456	20.20
9	A'	1421	1421	1.60
10	A'	1416	1416	2.94
11	A'	1218	1218	409.08
12	A'	1153	1153	12.36
13	A'	1046	1046	17.98
14	A'	870	870	14.16
15	A'	795	795	1.63
16	A'	385	385	5.95
17	A'	230	230	6.85
18	A"	3159	3159	46.49
19	A"	3133	3133	3.25
20	A"	1521	1521	7.97
21	A"	1325	1325	1.20
22	A"	1203	1203	4.54
23	A"	1039	1039	0.04
24	A"	824	824	0.52
25	A"	351	351	21.77
26	A"	244	244	2.43
27	A"	67	67	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.266	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	-2.749	-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	4.1690	1.0917	1.0905	1.0905	2.1740	2.1740	4.3688
C2	1.5117		1.4481	2.3585	2.6923	2.1454	2.1560	2.1560	1.0909	1.0909	3.2984
O3	2.3829	1.4481		1.3402	2.2674	3.3397	2.6407	2.6407	2.0724	2.0724	1.9889
C4	3.6268	2.3585	1.3402		1.2027	4.4735	3.9094	3.9094	2.6178	2.6178	1.0971
O5	4.1690	2.6923	2.2674	1.2027		4.8062	4.5863	4.5863	2.6449	2.6449	2.0402
H6	1.0917	2.1454	3.3397	4.4735	4.8062		1.7694	1.7694	2.5182	2.5182	5.3207
H7	1.0905	2.1560	2.6407	3.9094	4.5863	1.7694		1.7688	3.0769	2.5200	4.5037
H8	1.0905	2.1560	2.6407	3.9094	4.5863	1.7694	1.7688		2.5200	3.0769	4.5037
H9	2.1740	1.0909	2.0724	2.6178	2.6449	2.5182	3.0769	2.5200		1.7622	3.6142
H10	2.1740	1.0909	2.0724	2.6178	2.6449	2.5182	2.5200	3.0769	1.7622		3.6142
H11	4.3688	3.2984	1.9889	1.0971	2.0402	5.3207	4.5037	4.5037	3.6142	3.6142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.215	C1	C2	H9	112.288
C1	C2	H10	112.288	C2	C1	H6	109.944
C2	C1	H7	110.853	C2	C1	H8	110.853
C2	O3	C4	115.477	O3	C2	H9	108.600
O3	C2	H10	108.600	O3	C4	O5	126.077
O3	C4	H11	108.967	O5	C4	H11	124.956
H6	C1	H7	108.360	H6	C1	H8	108.360
H7	C1	H8	108.390	H9	C2	H10	107.743

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

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

States and conformations

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