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	hartrees
Energy at 0K	-268.232790
Energy at 298.15K
HF Energy	-267.930502
Nuclear repulsion energy	177.609571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3142	23.91
2	A'	3083	3083	11.00
3	A'	3071	3071	70.16
4	A'	3066	3066	17.14
5	A'	1795	1795	285.06
6	A'	1537	1537	7.90
7	A'	1516	1516	2.76
8	A'	1444	1444	18.39
9	A'	1410	1410	0.43
10	A'	1407	1407	3.33
11	A'	1216	1216	410.18
12	A'	1146	1146	11.25
13	A'	1044	1044	17.67
14	A'	868	868	13.98
15	A'	793	793	1.86
16	A'	384	384	5.87
17	A'	230	230	6.70
18	A"	3153	3153	39.24
19	A"	3124	3124	5.06
20	A"	1501	1501	6.89
21	A"	1313	1313	1.50
22	A"	1195	1195	4.49
23	A"	1047	1047	0.05
24	A"	821	821	0.50
25	A"	350	350	21.39
26	A"	243	243	2.34
27	A"	63	63	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.268	0.000
C2	-0.696	-0.569	0.000
O3	0.000	0.701	0.000
C4	1.338	0.624	0.000
O5	1.987	-0.389	0.000
H6	-2.745	-1.201	0.000
H7	-2.455	0.306	0.885
H8	-2.455	0.306	-0.885
H9	-0.390	-1.135	-0.882
H10	-0.390	-1.135	0.882
H11	1.752	1.640	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5124	2.3836	3.6276	4.1668	1.0920	1.0909	1.0909	2.1738	2.1738	4.3686
C2	1.5124		1.4483	2.3584	2.6891	2.1444	2.1554	2.1554	1.0913	1.0913	3.2975
O3	2.3836	1.4483		1.3407	2.2664	3.3395	2.6398	2.6398	2.0737	2.0737	1.9879
C4	3.6276	2.3584	1.3407		1.2027	4.4727	3.9087	3.9087	2.6190	2.6190	1.0972
O5	4.1668	2.6891	2.2664	1.2027		4.8014	4.5828	4.5828	2.6431	2.6431	2.0426
H6	1.0920	2.1444	3.3395	4.4727	4.8014		1.7716	1.7716	2.5155	2.5155	5.3194
H7	1.0909	2.1554	2.6398	3.9087	4.5828	1.7716		1.7709	3.0763	2.5180	4.5018
H8	1.0909	2.1554	2.6398	3.9087	4.5828	1.7716	1.7709		2.5180	3.0763	4.5018
H9	2.1738	1.0913	2.0737	2.6190	2.6431	2.5155	3.0763	2.5180		1.7637	3.6150
H10	2.1738	1.0913	2.0737	2.6190	2.6431	2.5155	2.5180	3.0763	1.7637		3.6150
H11	4.3686	3.2975	1.9879	1.0972	2.0426	5.3194	4.5018	4.5018	3.6150	3.6150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.213	C1	C2	H9	112.195
C1	C2	H10	112.195	C2	C1	H6	109.794
C2	C1	H7	110.734	C2	C1	H8	110.734
C2	O3	C4	115.417	O3	C2	H9	108.665
O3	C2	H10	108.665	O3	C4	O5	125.937
O3	C4	H11	108.850	O5	C4	H11	125.213
H6	C1	H7	108.498	H6	C1	H8	108.498
H7	C1	H8	108.519	H9	C2	H10	107.811

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)