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	hartrees
Energy at 0K	-268.143849
Energy at 298.15K
HF Energy	-267.875352
Nuclear repulsion energy	177.022577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	21.13
2	A'	3119	3119	46.00
3	A'	3109	3109	18.68
4	A'	3088	3088	16.32
5	A'	1778	1778	339.18
6	A'	1542	1542	7.40
7	A'	1526	1526	3.28
8	A'	1453	1453	17.86
9	A'	1413	1413	1.42
10	A'	1408	1408	5.72
11	A'	1224	1224	413.86
12	A'	1149	1149	8.28
13	A'	1043	1043	19.79
14	A'	861	861	15.80
15	A'	784	784	1.43
16	A'	382	382	5.27
17	A'	226	226	7.98
18	A"	3183	3183	34.37
19	A"	3157	3157	2.57
20	A"	1514	1514	7.40
21	A"	1311	1311	1.18
22	A"	1195	1195	4.55
23	A"	1038	1038	0.00
24	A"	822	822	0.34
25	A"	348	348	23.83
26	A"	241	241	2.75
27	A"	62	62	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.184	-0.267	0.000
C2	-0.703	-0.572	0.000
O3	0.000	0.700	0.000
C4	1.341	0.629	0.000
O5	1.999	-0.391	0.000
H6	-2.749	-1.201	0.000
H7	-2.464	0.305	0.886
H8	-2.464	0.305	-0.886
H9	-0.396	-1.134	-0.883
H10	-0.396	-1.134	0.883
H11	1.758	1.642	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5123	2.3889	3.6377	4.1847	1.0918	1.0906	1.0906	2.1746	2.1746	4.3806
C2	1.5123		1.4537	2.3712	2.7078	2.1407	2.1570	2.1570	1.0908	1.0908	3.3108
O3	2.3889	1.4537		1.3432	2.2768	3.3429	2.6477	2.6477	2.0740	2.0740	1.9947
C4	3.6377	2.3712	1.3432		1.2131	4.4814	3.9201	3.9201	2.6282	2.6282	1.0954
O5	4.1847	2.7078	2.2768	1.2131		4.8166	4.6021	4.6021	2.6585	2.6585	2.0466
H6	1.0918	2.1407	3.3429	4.4814	4.8166		1.7704	1.7704	2.5143	2.5143	5.3295
H7	1.0906	2.1570	2.6477	3.9201	4.6021	1.7704		1.7713	3.0778	2.5188	4.5164
H8	1.0906	2.1570	2.6477	3.9201	4.6021	1.7704	1.7713		2.5188	3.0778	4.5164
H9	2.1746	1.0908	2.0740	2.6282	2.6585	2.5143	3.0778	2.5188		1.7663	3.6233
H10	2.1746	1.0908	2.0740	2.6282	2.6585	2.5143	2.5188	3.0778	1.7663		3.6233
H11	4.3806	3.3108	1.9947	1.0954	2.0466	5.3295	4.5164	4.5164	3.6233	3.6233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.290	C1	C2	H9	112.304
C1	C2	H10	112.304	C2	C1	H6	109.523
C2	C1	H7	110.892	C2	C1	H8	110.892
C2	O3	C4	115.889	O3	C2	H9	108.344
O3	C2	H10	108.344	O3	C4	O5	125.847
O3	C4	H11	109.346	O5	C4	H11	124.807
H6	C1	H7	108.432	H6	C1	H8	108.432
H7	C1	H8	108.600	H9	C2	H10	108.117

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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/6-31+G**

States and conformations

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