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	hartrees
Energy at 0K	-153.477476
Energy at 298.15K
HF Energy	-153.477476
Nuclear repulsion energy	74.310862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	2934	37.53
2	A'	3172	2872	13.88
3	A'	3144	2847	33.38
4	A'	1616	1463	3.31
5	A'	1568	1420	8.43
6	A'	1543	1397	14.62
7	A'	1508	1365	6.43
8	A'	1193	1080	8.48
9	A'	1155	1045	30.84
10	A'	955	865	1.77
11	A'	451	408	5.59
12	A"	3251	2943	43.34
13	A"	3177	2877	17.31
14	A"	1601	1450	1.98
15	A"	1366	1237	0.67
16	A"	920	833	0.09
17	A"	268	243	5.21
18	A"	192i	174i	21.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.046	-0.575	0.000
C2	0.000	0.530	0.000
O3	-1.300	0.060	0.000
H4	2.047	-0.153	0.000
H5	0.937	-1.202	0.879
H6	0.937	-1.202	-0.879
H7	0.104	1.175	0.872
H8	0.104	1.175	-0.872

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5209	2.4304	1.0864	1.0851	1.0851	2.1698	2.1698
C2	1.5209		1.3827	2.1577	2.1561	2.1561	1.0896	1.0896
O3	2.4304	1.3827		3.3541	2.7151	2.7151	1.9941	1.9941
H4	1.0864	2.1577	3.3541		1.7616	1.7616	2.5096	2.5096
H5	1.0851	2.1561	2.7151	1.7616		1.7583	2.5183	3.0673
H6	1.0851	2.1561	2.7151	1.7616	1.7583		3.0673	2.5183
H7	2.1698	1.0896	1.9941	2.5096	2.5183	3.0673		1.7437
H8	2.1698	1.0896	1.9941	2.5096	3.0673	2.5183	1.7437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.565	C1	C2	H7	111.366
C1	C2	H8	111.366	C2	C1	H4	110.592
C2	C1	H5	110.541	C2	C1	H6	110.541
O3	C2	H7	106.924	O3	C2	H8	106.924
H4	C1	H5	108.429	H4	C1	H6	108.429
H5	C1	H6	108.230	H7	C2	H8	106.285

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

using model chemistry: HF/6-31G(2df,p)

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	-0.424
2	C	0.017
3	O	-0.303
4	H	0.133
5	H	0.145
6	H	0.145
7	H	0.144
8	H	0.144

	x	y	z	Total
	1.751	0.602	0.000	1.852
CHELPG
AIM
ESP

	x	y	z
x	3.872	-0.051	0.000
y	-0.051	3.670	0.000
z	0.000	0.000	3.701

<r²>	50.666
(<r²>)^1/2	7.118

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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