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	hartrees
Energy at 0K	-154.162522
Energy at 298.15K	-154.167536
HF Energy	-154.162522
Nuclear repulsion energy	73.516686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3026	21.33
2	A'	3074	2941	13.31
3	A'	2984	2855	25.70
4	A'	1542	1475	9.97
5	A'	1462	1398	20.03
6	A'	1459	1395	16.75
7	A'	1386	1326	3.60
8	A'	1137	1088	9.13
9	A'	1079	1032	13.83
10	A'	900	861	0.16
11	A'	426	408	7.82
12	A"	3173	3036	19.81
13	A"	3015	2885	5.62
14	A"	1533	1467	7.29
15	A"	1282	1226	0.53
16	A"	909	870	0.15
17	A"	314	300	32.16
18	A"	151	145	9.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.066	-0.556	0.000
C2	0.000	0.525	0.000
O3	-1.324	0.037	0.000
H4	2.069	-0.115	0.000
H5	0.969	-1.191	0.886
H6	0.969	-1.191	-0.886
H7	0.094	1.194	0.874
H8	0.094	1.194	-0.874

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5178	2.4623	1.0954	1.0941	1.0941	2.1841	2.1841
C2	1.5178		1.4107	2.1656	2.1602	2.1602	1.1047	1.1047
O3	2.4623	1.4107		3.3962	2.7478	2.7478	2.0275	2.0275
H4	1.0954	2.1656	3.3962		1.7749	1.7749	2.5257	2.5257
H5	1.0941	2.1602	2.7478	1.7749		1.7713	2.5403	3.0902
H6	1.0941	2.1602	2.7478	1.7749	1.7713		3.0902	2.5403
H7	2.1841	1.1047	2.0275	2.5257	2.5403	3.0902		1.7479
H8	2.1841	1.1047	2.0275	2.5257	3.0902	2.5403	1.7479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.401	C1	C2	H7	111.818
C1	C2	H8	111.818	C2	C1	H4	110.906
C2	C1	H5	110.551	C2	C1	H6	110.551
O3	C2	H7	106.789	O3	C2	H8	106.789
H4	C1	H5	108.325	H4	C1	H6	108.325
H5	C1	H6	108.091	H7	C2	H8	104.582

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

using model chemistry: HSEh1PBE/6-31G

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	-0.488
2	C	-0.130
3	O	-0.310
4	H	0.160
5	H	0.182
6	H	0.182
7	H	0.202
8	H	0.202

	x	y	z	Total
	2.136	0.802	0.000	2.282
CHELPG
AIM
ESP

	x	y	z
x	4.040	0.128	0.000
y	0.128	3.481	0.000
z	0.000	0.000	3.623

<r²>	51.542
(<r²>)^1/2	7.179

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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