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	hartrees
Energy at 0K	-154.238191
Energy at 298.15K
HF Energy	-154.238191
Nuclear repulsion energy	74.418221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	3006	26.59
2	A'	3057	2933	15.67
3	A'	2926	2808	32.39
4	A'	1510	1449	7.87
5	A'	1426	1369	35.88
6	A'	1405	1348	17.17
7	A'	1361	1306	8.26
8	A'	1113	1068	8.02
9	A'	1103	1058	13.85
10	A'	907	870	0.27
11	A'	434	417	7.31
12	A"	3141	3014	24.48
13	A"	2941	2822	10.27
14	A"	1499	1439	8.02
15	A"	1254	1203	0.36
16	A"	866	831	0.01
17	A"	271	260	16.56
18	A"	87i	84i	20.72

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.598	0.000
C2	0.000	0.510	0.000
O3	-1.296	0.100	0.000
H4	2.054	-0.194	0.000
H5	0.921	-1.230	0.883
H6	0.921	-1.230	-0.883
H7	0.125	1.190	0.865
H8	0.125	1.190	-0.865

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5173	2.4356	1.0941	1.0927	1.0927	2.1856	2.1856
C2	1.5173		1.3594	2.1712	2.1576	2.1576	1.1079	1.1079
O3	2.4356	1.3594		3.3632	2.7322	2.7322	1.9895	1.9895
H4	1.0941	2.1712	3.3632		1.7718	1.7718	2.5265	2.5265
H5	1.0927	2.1576	2.7322	1.7718		1.7666	2.5479	3.0901
H6	1.0927	2.1576	2.7322	1.7718	1.7666		3.0901	2.5479
H7	2.1856	1.1079	1.9895	2.5265	2.5479	3.0901		1.7302
H8	2.1856	1.1079	1.9895	2.5265	3.0901	2.5479	1.7302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.591	C1	C2	H7	111.776
C1	C2	H8	111.776	C2	C1	H4	111.456
C2	C1	H5	110.461	C2	C1	H6	110.461
O3	C2	H7	107.040	O3	C2	H8	107.040
H4	C1	H5	108.236	H4	C1	H6	108.236
H5	C1	H6	107.876	H7	C2	H8	102.684

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.672
2	C	-0.262
3	O	-0.221
4	H	0.215
5	H	0.233
6	H	0.233
7	H	0.237
8	H	0.237

	x	y	z	Total
	1.881	0.683	0.000	2.001
CHELPG
AIM
ESP

	x	y	z
x	4.372	0.014	0.000
y	0.014	3.947	0.000
z	0.000	0.000	3.867

<r²>	50.840
(<r²>)^1/2	7.130

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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