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	hartrees
Energy at 0K	-30.225662
Energy at 298.15K
HF Energy	-30.225662
Nuclear repulsion energy	42.946573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	2995	37.63
2	A'	3019	2927	19.91
3	A'	2905	2816	35.26
4	A'	1505	1459	6.91
5	A'	1422	1379	29.32
6	A'	1401	1358	15.56
7	A'	1355	1313	5.55
8	A'	1091	1058	5.79
9	A'	1055	1022	18.37
10	A'	875	849	0.19
11	A'	420	407	6.98
12	A"	3102	3007	33.99
13	A"	2917	2827	9.20
14	A"	1494	1448	5.20
15	A"	1237	1199	0.28
16	A"	821	796	0.20
17	A"	230	223	3.46
18	A"	851i	825i	142.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.059	-0.596	0.000
C2	0.000	0.521	0.000
O3	-1.320	0.086	0.000
H4	2.073	-0.172	0.000
H5	0.948	-1.230	0.888
H6	0.948	-1.230	-0.888
H7	0.117	1.196	0.874
H8	0.117	1.196	-0.874

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5389	2.4744	1.0988	1.0967	1.0967	2.2049	2.2049
C2	1.5389		1.3894	2.1854	2.1800	2.1800	1.1106	1.1106
O3	2.4744	1.3894		3.4022	2.7685	2.7685	2.0150	2.0150
H4	1.0988	2.1854	3.4022		1.7808	1.7808	2.5416	2.5416
H5	1.0967	2.1800	2.7685	1.7808		1.7767	2.5641	3.1113
H6	1.0967	2.1800	2.7685	1.7808	1.7767		3.1113	2.5641
H7	2.2049	1.1106	2.0150	2.5416	2.5641	3.1113		1.7480
H8	2.2049	1.1106	2.0150	2.5416	3.1113	2.5641	1.7480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.248	C1	C2	H7	111.625
C1	C2	H8	111.625	C2	C1	H4	110.792
C2	C1	H5	110.486	C2	C1	H6	110.486
O3	C2	H7	106.882	O3	C2	H8	106.882
H4	C1	H5	108.403	H4	C1	H6	108.403
H5	C1	H6	108.187	H7	C2	H8	103.801

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

using model chemistry: B3LYP/CEP-121G*

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	-0.491
2	C	-0.143
3	O	-0.212
4	H	0.152
5	H	0.171
6	H	0.171
7	H	0.175
8	H	0.175

	x	y	z	Total
	1.939	0.692	0.000	2.058
CHELPG
AIM
ESP

	x	y	z
x	4.653	0.021	0.000
y	0.021	4.187	0.000
z	0.000	0.000	4.335

<r²>	44.977
(<r²>)^1/2	6.706

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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