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	hartrees
Energy at 0K	-79.111448
Energy at 298.15K	-79.115285
HF Energy	-78.994872
Nuclear repulsion energy	37.094179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3041	14.49
2	A'	3074	2938	21.88
3	A'	2987	2855	24.50
4	A'	1502	1435	2.41
5	A'	1487	1422	3.03
6	A'	1415	1352	1.65
7	A'	1076	1029	0.05
8	A'	992	948	0.47
9	A'	487	466	51.82
10	A"	3278	3133	13.11
11	A"	3117	2979	20.00
12	A"	1500	1434	5.04
13	A"	1209	1156	2.13
14	A"	820	784	1.64
15	A"	114	109	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.691	0.000
C2	-0.010	0.791	0.000
H3	1.008	-1.098	0.000
H4	-0.505	-1.095	0.882
H5	-0.505	-1.095	-0.882
H6	0.063	1.344	-0.922
H7	0.063	1.344	0.922

	C1	C2	H3	H4	H5	H6	H7
C1		1.4829	1.0966	1.0887	1.0887	2.2356	2.2356
C2	1.4829		2.1466	2.1403	2.1403	1.0771	1.0771
H3	1.0966	2.1466		1.7512	1.7512	2.7762	2.7762
H4	1.0887	2.1403	1.7512		1.7643	3.0861	2.5044
H5	1.0887	2.1403	1.7512	1.7643		2.5044	3.0861
H6	2.2356	1.0771	2.7762	3.0861	2.5044		1.8434
H7	2.2356	1.0771	2.7762	2.5044	3.0861	1.8434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.862	C1	C2	H7	120.862
C2	C1	H3	111.770	C2	C1	H4	111.751
C2	C1	H5	111.751	H3	C1	H4	106.514
H3	C1	H5	106.514	H4	C1	H5	108.240
H6	C2	H7	117.677

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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