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	hartrees
Energy at 0K	-154.197348
Energy at 298.15K	-154.202313
HF Energy	-154.197348
Nuclear repulsion energy	73.839834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	3039	18.50
2	A'	2974	2955	11.57
3	A'	2764	2747	29.86
4	A'	1411	1403	4.90
5	A'	1332	1324	30.46
6	A'	1304	1296	18.69
7	A'	1215	1208	22.99
8	A'	1069	1062	18.03
9	A'	1048	1042	4.95
10	A'	866	861	1.64
11	A'	425	422	7.91
12	A"	3067	3048	13.46
13	A"	2759	2742	4.30
14	A"	1402	1393	7.88
15	A"	1153	1146	0.04
16	A"	811	806	0.01
17	A"	314	312	27.18
18	A"	169	168	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.041	-0.622	0.000
C2	0.000	0.497	0.000
O3	-1.307	0.131	0.000
H4	2.066	-0.203	0.000
H5	0.922	-1.259	0.896
H6	0.922	-1.259	-0.896
H7	0.150	1.209	0.863
H8	0.150	1.209	-0.863

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5279	2.4658	1.1070	1.1055	1.1055	2.2114	2.2114
C2	1.5279		1.3572	2.1810	2.1758	2.1758	1.1293	1.1293
O3	2.4658	1.3572		3.3893	2.7754	2.7754	2.0078	2.0078
H4	1.1070	2.1810	3.3893		1.7958	1.7958	2.5313	2.5313
H5	1.1055	2.1758	2.7754	1.7958		1.7912	2.5859	3.1272
H6	1.1055	2.1758	2.7754	1.7958	1.7912		3.1272	2.5859
H7	2.2114	1.1293	2.0078	2.5313	2.5859	3.1272		1.7264
H8	2.2114	1.1293	2.0078	2.5313	3.1272	2.5859	1.7264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	117.320	C1	C2	H7	111.780
C1	C2	H8	111.780	C2	C1	H4	110.716
C2	C1	H5	110.398	C2	C1	H6	110.398
O3	C2	H7	107.349	O3	C2	H8	107.349
H4	C1	H5	108.518	H4	C1	H6	108.518
H5	C1	H6	108.220	H7	C2	H8	99.705

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	0.573
2	C	0.799
3	O	-0.468
4	H	-0.146
5	H	-0.157
6	H	-0.157
7	H	-0.222
8	H	-0.222

	x	y	z	Total
	2.159	0.662	0.000	2.259
CHELPG
AIM
ESP

	x	y	z
x	5.969	-0.038	0.000
y	-0.038	5.192	0.000
z	0.000	0.000	4.695

<r²>	51.916
(<r²>)^1/2	7.205

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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