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	hartrees
Energy at 0K	-79.164817
Energy at 298.15K	-79.168565
HF Energy	-79.164817
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3165	14.72
2	A'	3075	3075	21.21
3	A'	2986	2986	24.23
4	A'	1493	1493	3.81
5	A'	1473	1473	2.66
6	A'	1406	1406	2.83
7	A'	1078	1078	0.10
8	A'	982	982	0.49
9	A'	469	469	53.66
10	A"	3269	3269	13.27
11	A"	3122	3122	19.00
12	A"	1484	1484	6.15
13	A"	1198	1198	2.55
14	A"	821	821	1.98
15	A"	76	76	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.691	0.000
C2	-0.010	0.791	0.000
H3	1.010	-1.097	0.000
H4	-0.503	-1.096	0.884
H5	-0.503	-1.096	-0.884
H6	0.060	1.344	-0.925
H7	0.060	1.344	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.4816	1.0985	1.0905	1.0905	2.2360	2.2360
C2	1.4816		2.1461	2.1416	2.1416	1.0800	1.0800
H3	1.0985	2.1461		1.7529	1.7529	2.7777	2.7777
H4	1.0905	2.1416	1.7529		1.7680	3.0895	2.5047
H5	1.0905	2.1416	1.7529	1.7680		2.5047	3.0895
H6	2.2360	1.0800	2.7777	3.0895	2.5047		1.8501
H7	2.2360	1.0800	2.7777	2.5047	3.0895	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.795	C1	C2	H7	120.795
C2	C1	H3	111.705	C2	C1	H4	111.841
C2	C1	H5	111.841	H3	C1	H4	106.408
H3	C1	H5	106.408	H4	C1	H5	108.322
H6	C2	H7	117.859

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

using model chemistry: wB97X-D/cc-pVQZ

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	-0.025
2	C	-0.133
3	H	0.022
4	H	0.020
5	H	0.020
6	H	0.048
7	H	0.048

	x	y	z	Total
	0.125	-0.278	0.000	0.305
CHELPG
AIM
ESP

	x	y	z
x	3.458	-0.039	0.000
y	-0.039	4.464	0.000
z	0.000	0.000	3.775

<r²>	27.595
(<r²>)^1/2	5.253

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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