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	hartrees
Energy at 0K	-78.996930
Energy at 298.15K	-79.000788
HF Energy	-78.630373
Nuclear repulsion energy	37.135350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3221	11.34
2	A'	3123	3123	15.13
3	A'	3039	3039	18.34
4	A'	1516	1516	0.89
5	A'	1495	1495	5.28
6	A'	1416	1416	1.69
7	A'	1092	1092	0.04
8	A'	994	994	0.49
9	A'	478	478	57.43
10	A"	3330	3330	7.32
11	A"	3169	3169	13.98
12	A"	1505	1505	5.48
13	A"	1216	1216	1.98
14	A"	824	824	1.67
15	A"	130	130	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.692	0.000
C2	-0.011	0.792	0.000
H3	1.005	-1.095	0.000
H4	-0.507	-1.091	0.880
H5	-0.507	-1.091	-0.880
H6	0.071	1.341	-0.920
H7	0.071	1.341	0.920

	C1	C2	H3	H4	H5	H6	H7
C1		1.4842	1.0929	1.0863	1.0863	2.2333	2.2333
C2	1.4842		2.1427	2.1368	2.1368	1.0746	1.0746
H3	1.0929	2.1427		1.7497	1.7497	2.7659	2.7659
H4	1.0863	2.1368	1.7497		1.7608	3.0807	2.5001
H5	1.0863	2.1368	1.7497	1.7608		2.5001	3.0807
H6	2.2333	1.0746	2.7659	3.0807	2.5001		1.8400
H7	2.2333	1.0746	2.7659	2.5001	3.0807	1.8400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.734	C1	C2	H7	120.734
C2	C1	H3	111.599	C2	C1	H4	111.528
C2	C1	H5	111.528	H3	C1	H4	106.824
H3	C1	H5	106.824	H4	C1	H5	108.287
H6	C2	H7	117.766

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

using model chemistry: MP2=FULL/Def2TZVPP

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: MP2=FULL/Def2TZVPP

States and conformations

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