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	hartrees
Energy at 0K	-30.187201
Energy at 298.15K
HF Energy	-30.187201
Nuclear repulsion energy	42.497582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3002	40.58
2	A'	2994	2918	20.78
3	A'	2922	2848	36.01
4	A'	1517	1478	10.31
5	A'	1440	1403	22.39
6	A'	1432	1395	12.21
7	A'	1362	1327	5.69
8	A'	1105	1076	7.14
9	A'	1038	1011	17.54
10	A'	865	843	0.37
11	A'	412	401	8.16
12	A"	3095	3016	34.57
13	A"	2939	2864	0.00
14	A"	1506	1467	6.37
15	A"	1248	1216	0.61
16	A"	836	814	0.02
17	A"	225	219	3.18
18	A"	1606i	1565i	800.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.087	-0.554	0.000
C2	0.000	0.536	0.000
O3	-1.346	0.024	0.000
H4	2.090	-0.104	0.000
H5	0.994	-1.191	0.888
H6	0.994	-1.191	-0.888
H7	0.081	1.203	0.880
H8	0.081	1.203	-0.880

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5401	2.5007	1.0991	1.0968	1.0968	2.2081	2.2081
C2	1.5401		1.4398	2.1855	2.1819	2.1819	1.1072	1.1072
O3	2.5007	1.4398		3.4377	2.7819	2.7819	2.0493	2.0493
H4	1.0991	2.1855	3.4377		1.7810	1.7810	2.5529	2.5529
H5	1.0968	2.1819	2.7819	1.7810		1.7768	2.5620	3.1132
H6	1.0968	2.1819	2.7819	1.7810	1.7768		3.1132	2.5620
H7	2.2081	1.1072	2.0493	2.5529	2.5620	3.1132		1.7607
H8	2.2081	1.1072	2.0493	2.5529	3.1132	2.5620	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.067	C1	C2	H7	112.011
C1	C2	H8	112.011	C2	C1	H4	110.698
C2	C1	H5	110.546	C2	C1	H6	110.546
O3	C2	H7	106.409	O3	C2	H8	106.409
H4	C1	H5	108.391	H4	C1	H6	108.391
H5	C1	H6	108.184	H7	C2	H8	105.335

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	-0.433
2	C	-0.197
3	O	-0.170
4	H	0.138
5	H	0.161
6	H	0.161
7	H	0.170
8	H	0.170

	x	y	z	Total
	2.225	0.853	0.000	2.382
CHELPG
AIM
ESP

	x	y	z
x	4.525	0.103	0.000
y	0.103	3.956	0.000
z	0.000	0.000	4.809

<r²>	45.666
(<r²>)^1/2	6.758

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)