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	hartrees
Energy at 0K	-152.704373
Energy at 298.15K
HF Energy	-152.704373
Nuclear repulsion energy	73.723630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3030	10.27
2	A'	2994	2945	5.49
3	A'	2760	2715	32.16
4	A'	1495	1470	10.69
5	A'	1390	1367	21.35
6	A'	1376	1354	33.03
7	A'	1269	1248	9.15
8	A'	1087	1069	13.48
9	A'	1066	1048	11.55
10	A'	872	858	4.32
11	A'	395	388	8.16
12	A"	3083	3033	6.97
13	A"	2757	2712	5.33
14	A"	1484	1459	11.09
15	A"	1213	1194	1.38
16	A"	858	844	0.16
17	A"	259	255	28.51
18	A"	174i	171i	46.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.047	-0.597	0.000
C2	0.000	0.502	0.000
O3	-1.317	0.101	0.000
H4	2.066	-0.174	0.000
H5	0.926	-1.234	0.893
H6	0.926	-1.234	-0.893
H7	0.167	1.202	0.868
H8	0.167	1.202	-0.868

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5176	2.4645	1.1039	1.1034	1.1034	2.1823	2.1823
C2	1.5176		1.3763	2.1738	2.1604	2.1604	1.1274	1.1274
O3	2.4645	1.3763		3.3941	2.7586	2.7586	2.0413	2.0413
H4	1.1039	2.1738	3.3941		1.7948	1.7948	2.5001	2.5001
H5	1.1034	2.1604	2.7586	1.7948		1.7859	2.5513	3.0997
H6	1.1034	2.1604	2.7586	1.7948	1.7859		3.0997	2.5513
H7	2.1823	1.1274	2.0413	2.5001	2.5513	3.0997		1.7354
H8	2.1823	1.1274	2.0413	2.5001	3.0997	2.5513	1.7354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.693	C1	C2	H7	110.315
C1	C2	H8	110.315	C2	C1	H4	111.058
C2	C1	H5	110.024	C2	C1	H6	110.024
O3	C2	H7	108.830	O3	C2	H8	108.830
H4	C1	H5	108.808	H4	C1	H6	108.808
H5	C1	H6	108.052	H7	C2	H8	100.643

All results from a given calculation for CH₃CH₂O (Ethoxy radical)

using model chemistry: LSDA/3-21G

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	-0.659
2	C	-0.227
3	O	-0.290
4	H	0.206
5	H	0.235
6	H	0.235
7	H	0.250
8	H	0.250

	x	y	z	Total
	1.998	0.724	0.000	2.126
CHELPG
AIM
ESP

	x	y	z
x	4.101	0.094	0.000
y	0.094	3.482	0.000
z	0.000	0.000	3.616

<r²>	51.361
(<r²>)^1/2	7.167

All results from a given calculation for CH3CH2O (Ethoxy radical)

using model chemistry: LSDA/3-21G

States and conformations

All results from a given calculation for CH₃CH₂O (Ethoxy radical)