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	hartrees
Energy at 0K	-78.112072
Energy at 298.15K	-78.115875
HF Energy	-78.112072
Nuclear repulsion energy	36.617046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3468	3063	0.98
2	A'	3436	3034	1.01
3	A'	3319	2931	1.08
4	A'	1684	1487	4.33
5	A'	1618	1429	4.82
6	A'	1579	1394	0.19
7	A'	1160	1025	0.18
8	A'	1095	967	1.50
9	A'	445	393	22.24
10	A"	3605	3184	0.83
11	A"	3519	3107	0.41
12	A"	1693	1495	3.53
13	A"	1307	1154	5.10
14	A"	876	774	2.42
15	A"	170	150	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	-0.703	0.000
C2	-0.021	0.805	0.000
H3	1.006	-1.112	0.000
H4	-0.528	-1.099	0.891
H5	-0.528	-1.099	-0.891
H6	0.149	1.348	-0.934
H7	0.149	1.348	0.934

	C1	C2	H3	H4	H5	H6	H7
C1		1.5078	1.1047	1.0991	1.0991	2.2596	2.2596
C2	1.5078		2.1743	2.1622	2.1622	1.0932	1.0932
H3	1.1047	2.1743		1.7738	1.7738	2.7671	2.7671
H4	1.0991	2.1622	1.7738		1.7818	3.1261	2.5388
H5	1.0991	2.1622	1.7738	1.7818		2.5388	3.1261
H6	2.2596	1.0932	2.7671	3.1261	2.5388		1.8674
H7	2.2596	1.0932	2.7671	2.5388	3.1261	1.8674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.777	C1	C2	H7	119.777
C2	C1	H3	111.736	C2	C1	H4	111.106
C2	C1	H5	111.106	H3	C1	H4	107.198
H3	C1	H5	107.198	H4	C1	H5	108.302
H6	C2	H7	117.313

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

using model chemistry: HSEh1PBE/STO-3G

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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Number	Element	Mulliken
1	C	-0.245
2	C	-0.136
3	H	0.082
4	H	0.083
5	H	0.083
6	H	0.066
7	H	0.066

	x	y	z	Total
	0.163	-0.165	0.000	0.232
CHELPG
AIM
ESP

	x	y	z
x	1.084	0.035	0.000
y	0.035	1.763	0.000
z	0.000	0.000	1.610

<r²>	27.258
(<r²>)^1/2	5.221

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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