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	hartrees
Energy at 0K	-78.970650
Energy at 298.15K	-78.965766
HF Energy	-78.596460
Nuclear repulsion energy	36.910344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3296	18.81
2	A'	3218	3218	41.15
3	A'	3148	3148	38.67
4	A'	1620	1620	3.45
5	A'	1596	1596	1.58
6	A'	1537	1537	0.01
7	A'	1107	1107	0.46
8	A'	1075	1075	0.06
9	A'	464	464	43.43
10	A"	3396	3396	27.92
11	A"	3254	3254	34.84
12	A"	1626	1626	2.96
13	A"	1299	1299	2.11
14	A"	861	861	0.84
15	A"	173	173	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.700	0.000
C2	-0.017	0.801	0.000
H3	0.998	-1.105	0.000
H4	-0.520	-1.096	0.880
H5	-0.520	-1.096	-0.880
H6	0.124	1.345	-0.920
H7	0.124	1.345	0.920

	C1	C2	H3	H4	H5	H6	H7
C1		1.5006	1.0932	1.0881	1.0881	2.2470	2.2470
C2	1.5006		2.1592	2.1504	2.1504	1.0781	1.0781
H3	1.0932	2.1592		1.7549	1.7549	2.7590	2.7590
H4	1.0881	2.1504	1.7549		1.7600	3.1006	2.5252
H5	1.0881	2.1504	1.7549	1.7600		2.5252	3.1006
H6	2.2470	1.0781	2.7590	3.1006	2.5252		1.8391
H7	2.2470	1.0781	2.7590	2.5252	3.1006	1.8391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.346	C1	C2	H7	120.346
C2	C1	H3	111.734	C2	C1	H4	111.340
C2	C1	H5	111.340	H3	C1	H4	107.127
H3	C1	H5	107.127	H4	C1	H5	107.944
H6	C2	H7	117.062

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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