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	hartrees
Energy at 0K	-153.522160
Energy at 298.15K
HF Energy	-153.522160
Nuclear repulsion energy	74.380009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	2914	39.74
2	A'	3162	2860	14.72
3	A'	3137	2838	30.68
4	A'	1614	1460	4.46
5	A'	1567	1418	9.15
6	A'	1541	1394	14.75
7	A'	1505	1362	7.00
8	A'	1193	1079	7.09
9	A'	1149	1039	36.22
10	A'	953	862	2.39
11	A'	456	413	5.81
12	A"	3233	2925	46.42
13	A"	3163	2862	13.82
14	A"	1599	1446	3.46
15	A"	1367	1237	0.28
16	A"	921	833	0.00
17	A"	262	237	3.04
18	A"	199i	180i	13.66

Atom	x (Å)	y (Å)	z (Å)
C1	1.047	-0.571	0.000
C2	0.000	0.528	0.000
O3	-1.301	0.057	0.000
H4	2.043	-0.144	0.000
H5	0.943	-1.197	0.878
H6	0.943	-1.197	-0.878
H7	0.100	1.172	0.870
H8	0.100	1.172	-0.870

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5175	2.4305	1.0844	1.0830	1.0830	2.1660	2.1660
C2	1.5175		1.3838	2.1508	2.1527	2.1527	1.0874	1.0874
O3	2.4305	1.3838		3.3506	2.7166	2.7166	1.9908	1.9908
H4	1.0844	2.1508	3.3506		1.7579	1.7579	2.5030	2.5030
H5	1.0830	2.1527	2.7166	1.7579		1.7556	2.5143	3.0623
H6	1.0830	2.1527	2.7166	1.7579	1.7556		3.0623	2.5143
H7	2.1660	1.0874	1.9908	2.5030	2.5143	3.0623		1.7408
H8	2.1660	1.0874	1.9908	2.5030	3.0623	2.5143	1.7408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.725	C1	C2	H7	111.441
C1	C2	H8	111.441	C2	C1	H4	110.399
C2	C1	H5	110.637	C2	C1	H6	110.637
O3	C2	H7	106.726	O3	C2	H8	106.726
H4	C1	H5	108.397	H4	C1	H6	108.397
H5	C1	H6	108.295	H7	C2	H8	106.347

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	-1.354
2	C	0.014
3	O	-1.010
4	H	0.682
5	H	0.295
6	H	0.295
7	H	0.540
8	H	0.540

	x	y	z	Total
	1.863	0.626	0.000	1.966
CHELPG
AIM
ESP

	x	y	z
x	4.585	-0.096	0.000
y	-0.096	4.293	0.000
z	0.000	0.000	4.103

<r²>	50.781
(<r²>)^1/2	7.126

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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