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	hartrees
Energy at 0K	-78.997704
Energy at 298.15K
HF Energy	-78.941967
Nuclear repulsion energy	36.801811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	16.85
2	A'	3084	3084	31.37
3	A'	2997	2997	30.88
4	A'	1545	1545	6.07
5	A'	1524	1524	0.82
6	A'	1478	1478	2.90
7	A'	1085	1085	0.07
8	A'	1036	1036	0.86
9	A'	492	492	62.00
10	A"	3298	3298	24.26
11	A"	3130	3130	27.03
12	A"	1554	1554	5.42
13	A"	1244	1244	2.96
14	A"	849	849	3.19
15	A"	115	115	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.698	0.000
C2	-0.009	0.799	0.000
H3	1.013	-1.113	0.000
H4	-0.512	-1.102	0.887
H5	-0.512	-1.102	-0.887
H6	0.062	1.356	-0.927
H7	0.062	1.356	0.927

	C1	C2	H3	H4	H5	H6	H7
C1		1.4968	1.1035	1.0960	1.0960	2.2551	2.2551
C2	1.4968		2.1680	2.1564	2.1564	1.0842	1.0842
H3	1.1035	2.1680		1.7638	1.7638	2.8040	2.8040
H4	1.0960	2.1564	1.7638		1.7734	3.1081	2.5244
H5	1.0960	2.1564	1.7638	1.7734		2.5244	3.1081
H6	2.2551	1.0842	2.8040	3.1081	2.5244		1.8541
H7	2.2551	1.0842	2.8040	2.5244	3.1081	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.954	C1	C2	H7	120.954
C2	C1	H3	112.081	C2	C1	H4	111.611
C2	C1	H5	111.611	H3	C1	H4	106.620
H3	C1	H5	106.620	H4	C1	H5	108.000
H6	C2	H7	117.536

All results from a given calculation for C₂H₅ (Ethyl radical)

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

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 C2H5 (Ethyl radical)

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

States and conformations

All results from a given calculation for C₂H₅ (Ethyl radical)