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	hartrees
Energy at 0K	-154.335142
Energy at 298.15K	-154.340065
HF Energy	-154.335142
Nuclear repulsion energy	74.131805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3047	3007	24.83
2	A'	2976	2937	15.65
3	A'	2780	2744	31.52
4	A'	1464	1445	5.46
5	A'	1370	1353	14.80
6	A'	1346	1329	31.85
7	A'	1274	1257	17.81
8	A'	1069	1055	3.81
9	A'	1057	1043	21.19
10	A'	863	852	1.86
11	A'	429	424	7.35
12	A"	3058	3018	20.51
13	A"	2774	2738	7.64
14	A"	1455	1436	6.98
15	A"	1190	1175	0.05
16	A"	834	823	0.05
17	A"	277	274	26.68
18	A"	156	154	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.039	-0.620	0.000
C2	0.000	0.500	0.000
O3	-1.304	0.129	0.000
H4	2.055	-0.207	0.000
H5	0.921	-1.250	0.887
H6	0.921	-1.250	-0.887
H7	0.148	1.196	0.861
H8	0.148	1.196	-0.861

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5281	2.4599	1.0961	1.0942	1.0942	2.1988	2.1988
C2	1.5281		1.3553	2.1729	2.1675	2.1675	1.1168	1.1168
O3	2.4599	1.3553		3.3751	2.7638	2.7638	1.9965	1.9965
H4	1.0961	2.1729	3.3751		1.7776	1.7776	2.5190	2.5190
H5	1.0942	2.1675	2.7638	1.7776		1.7734	2.5659	3.1043
H6	1.0942	2.1675	2.7638	1.7776	1.7734		3.1043	2.5659
H7	2.1988	1.1168	1.9965	2.5190	2.5659	3.1043		1.7213
H8	2.1988	1.1168	1.9965	2.5190	3.1043	2.5659	1.7213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.804	C1	C2	H7	111.807
C1	C2	H8	111.807	C2	C1	H4	111.138
C2	C1	H5	110.297	C2	C1	H6	110.297
O3	C2	H7	106.348	O3	C2	H8	106.348
H4	C1	H5	108.361	H4	C1	H6	108.361
H5	C1	H6	108.304	H7	C2	H8	103.849

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.269
2	C	0.119
3	O	-0.483
4	H	0.121
5	H	0.126
6	H	0.126
7	H	0.130
8	H	0.130

	x	y	z	Total
	2.106	0.649	0.000	2.204
CHELPG
AIM
ESP

	x	y	z
x	5.656	-0.047	0.000
y	-0.047	4.940	0.000
z	0.000	0.000	4.524

<r²>	51.502
(<r²>)^1/2	7.176

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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