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	hartrees
Energy at 0K	-266.551643
Energy at 298.15K	-266.558707
HF Energy	-266.370814
Nuclear repulsion energy	174.912730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3164	17.79
2	A'	3108	3108	6.59
3	A'	3104	3104	66.61
4	A'	3095	3095	11.23
5	A'	1699	1699	170.98
6	A'	1597	1597	11.37
7	A'	1585	1585	5.55
8	A'	1485	1485	8.82
9	A'	1424	1424	13.75
10	A'	1415	1415	6.95
11	A'	1164	1164	287.72
12	A'	1153	1153	81.19
13	A'	1022	1022	11.55
14	A'	832	832	8.62
15	A'	778	778	3.09
16	A'	367	367	8.06
17	A'	216	216	6.96
18	A"	3179	3179	29.67
19	A"	3148	3148	6.02
20	A"	1575	1575	6.45
21	A"	1329	1329	0.00
22	A"	1205	1205	6.08
23	A"	1047	1047	0.07
24	A"	854	854	1.50
25	A"	340	340	25.77
26	A"	232	232	2.24
27	A"	32	32	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-2.201	-0.236	0.000
C2	-0.719	-0.591	0.000
O3	0.000	0.718	0.000
C4	1.372	0.625	0.000
O5	2.005	-0.427	0.000
H6	-2.806	-1.147	0.000
H7	-2.443	0.352	0.887
H8	-2.443	0.352	-0.887
H9	-0.423	-1.156	-0.885
H10	-0.423	-1.156	0.885
H11	1.786	1.636	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5245	2.3996	3.6757	4.2112	1.0929	1.0914	1.0914	2.1892	2.1892	4.4051
C2	1.5245		1.4932	2.4184	2.7290	2.1601	2.1562	2.1562	1.0914	1.0914	3.3510
O3	2.3996	1.4932		1.3749	2.3095	3.3694	2.6250	2.6250	2.1157	2.1157	2.0078
C4	3.6757	2.4184	1.3749		1.2287	4.5381	3.9264	3.9264	2.6793	2.6793	1.0918
O5	4.2112	2.7290	2.3095	1.2287		4.8648	4.6028	4.6028	2.6855	2.6855	2.0745
H6	1.0929	2.1601	3.3694	4.5381	4.8648		1.7791	1.7791	2.5421	2.5421	5.3692
H7	1.0914	2.1562	2.6250	3.9264	4.6028	1.7791		1.7733	3.0817	2.5214	4.5079
H8	1.0914	2.1562	2.6250	3.9264	4.6028	1.7791	1.7733		2.5214	3.0817	4.5079
H9	2.1892	1.0914	2.1157	2.6793	2.6855	2.5421	3.0817	2.5214		1.7706	3.6684
H10	2.1892	1.0914	2.1157	2.6793	2.6855	2.5421	2.5214	3.0817	1.7706		3.6684
H11	4.4051	3.3510	2.0078	1.0918	2.0745	5.3692	4.5079	4.5079	3.6684	3.6684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.344	C1	C2	H9	112.576
C1	C2	H10	112.576	C2	C1	H6	110.144
C2	C1	H7	109.931	C2	C1	H8	109.931
C2	O3	C4	114.899	O3	C2	H9	108.897
O3	C2	H10	108.897	O3	C4	O5	124.917
O3	C4	H11	108.423	O5	C4	H11	126.659
H6	C1	H7	109.071	H6	C1	H8	109.071
H7	C1	H8	108.663	H9	C2	H10	108.418

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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