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	hartrees
Energy at 0K	-154.436628
Energy at 298.15K	-154.441505
HF Energy	-154.436628
Nuclear repulsion energy	74.254241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	2994	20.44
2	A'	3032	2933	13.09
3	A'	2884	2790	23.64
4	A'	1494	1446	5.89
5	A'	1407	1361	16.66
6	A'	1389	1344	26.45
7	A'	1328	1285	11.50
8	A'	1097	1061	7.68
9	A'	1065	1031	14.51
10	A'	885	856	0.47
11	A'	435	421	6.80
12	A"	3106	3005	17.96
13	A"	2881	2788	3.89
14	A"	1485	1436	6.36
15	A"	1237	1197	0.01
16	A"	860	832	0.00
17	A"	256	248	16.20
18	A"	120	116	9.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.043	-0.601	0.000
C2	0.000	0.507	0.000
O3	-1.303	0.103	0.000
H4	2.051	-0.181	0.000
H5	0.933	-1.229	0.883
H6	0.933	-1.229	-0.883
H7	0.125	1.189	0.863
H8	0.125	1.189	-0.863

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5218	2.4497	1.0916	1.0899	1.0899	2.1888	2.1888
C2	1.5218		1.3646	2.1635	2.1601	2.1601	1.1068	1.1068
O3	2.4497	1.3646		3.3663	2.7484	2.7484	1.9912	1.9912
H4	1.0916	2.1635	3.3663		1.7694	1.7694	2.5162	2.5162
H5	1.0899	2.1601	2.7484	1.7694		1.7666	2.5500	3.0904
H6	1.0899	2.1601	2.7484	1.7694	1.7666		3.0904	2.5500
H7	2.1888	1.1068	1.9912	2.5162	2.5500	3.0904		1.7256
H8	2.1888	1.1068	1.9912	2.5162	3.0904	2.5500	1.7256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.034	C1	C2	H7	111.781
C1	C2	H8	111.781	C2	C1	H4	110.677
C2	C1	H5	110.510	C2	C1	H6	110.510
O3	C2	H7	106.892	O3	C2	H8	106.892
H4	C1	H5	108.398	H4	C1	H6	108.398
H5	C1	H6	108.268	H7	C2	H8	102.435

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

using model chemistry: B3LYP/aug-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	-0.663
2	C	0.112
3	O	-0.516
4	H	0.219
5	H	0.200
6	H	0.200
7	H	0.224
8	H	0.224

	x	y	z	Total
	2.056	0.661	0.000	2.160
CHELPG
AIM
ESP

	x	y	z
x	5.438	-0.032	0.000
y	-0.032	4.850	0.000
z	0.000	0.000	4.487

<r²>	51.306
(<r²>)^1/2	7.163

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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