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	hartrees
Energy at 0K	-78.913948
Energy at 298.15K	-78.917799
HF Energy	-78.603689
Nuclear repulsion energy	36.611743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3176	12.67
2	A'	3102	3102	25.38
3	A'	3019	3019	26.99
4	A'	1490	1490	1.52
5	A'	1474	1474	3.34
6	A'	1406	1406	0.17
7	A'	1085	1085	0.05
8	A'	989	989	0.19
9	A'	446	446	42.87
10	A"	3283	3283	14.11
11	A"	3147	3147	21.15
12	A"	1486	1486	3.75
13	A"	1199	1199	1.92
14	A"	807	807	1.21
15	A"	147	147	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.700	0.000
C2	-0.014	0.800	0.000
H3	1.018	-1.111	0.000
H4	-0.520	-1.104	0.894
H5	-0.520	-1.104	-0.894
H6	0.092	1.358	-0.936
H7	0.092	1.358	0.936

	C1	C2	H3	H4	H5	H6	H7
C1		1.5004	1.1106	1.1042	1.1042	2.2638	2.2638
C2	1.5004		2.1722	2.1643	2.1643	1.0952	1.0952
H3	1.1106	2.1722		1.7789	1.7789	2.7985	2.7985
H4	1.1042	2.1643	1.7789		1.7886	3.1291	2.5379
H5	1.1042	2.1643	1.7789	1.7886		2.5379	3.1291
H6	2.2638	1.0952	2.7985	3.1291	2.5379		1.8730
H7	2.2638	1.0952	2.7985	2.5379	3.1291	1.8730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.620	C1	C2	H7	120.620
C2	C1	H3	111.728	C2	C1	H4	111.480
C2	C1	H5	111.480	H3	C1	H4	106.867
H3	C1	H5	106.867	H4	C1	H5	108.169
H6	C2	H7	117.540

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

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

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