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	hartrees
Energy at 0K	-154.340431
Energy at 298.15K	-154.345331
HF Energy	-154.340431
Nuclear repulsion energy	74.087281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3052	3005	24.18
2	A'	2981	2935	15.66
3	A'	2791	2748	31.36
4	A'	1462	1440	5.08
5	A'	1370	1349	14.37
6	A'	1347	1326	30.37
7	A'	1272	1253	17.50
8	A'	1070	1053	6.73
9	A'	1052	1036	17.73
10	A'	863	850	1.59
11	A'	429	423	7.18
12	A"	3062	3015	19.82
13	A"	2786	2743	7.34
14	A"	1453	1431	6.71
15	A"	1194	1175	0.06
16	A"	834	821	0.04
17	A"	266	262	24.91
18	A"	148	146	5.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.042	-0.616	0.000
C2	0.000	0.501	0.000
O3	-1.306	0.123	0.000
H4	2.056	-0.199	0.000
H5	0.925	-1.246	0.887
H6	0.925	-1.246	-0.887
H7	0.144	1.196	0.861
H8	0.144	1.196	-0.861

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5270	2.4612	1.0960	1.0942	1.0942	2.1978	2.1978
C2	1.5270		1.3591	2.1714	2.1665	2.1665	1.1160	1.1160
O3	2.4612	1.3591		3.3767	2.7639	2.7639	1.9981	1.9981
H4	1.0960	2.1714	3.3767		1.7777	1.7777	2.5185	2.5185
H5	1.0942	2.1665	2.7639	1.7777		1.7737	2.5642	3.1031
H6	1.0942	2.1665	2.7639	1.7777	1.7737		3.1031	2.5642
H7	2.1978	1.1160	1.9981	2.5185	2.5642	3.1031		1.7220
H8	2.1978	1.1160	1.9981	2.5185	3.1031	2.5642	1.7220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.910	C1	C2	H7	111.572
C1	C2	H8	111.572	C2	C1	H4	110.681
C2	C1	H5	110.392	C2	C1	H6	110.392
O3	C2	H7	107.255	O3	C2	H8	107.255
H4	C1	H5	108.513	H4	C1	H6	108.513
H5	C1	H6	108.280	H7	C2	H8	100.974

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

using model chemistry: B97D3/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	-0.498
2	C	0.267
3	O	-0.546
4	H	0.163
5	H	0.149
6	H	0.149
7	H	0.158
8	H	0.158

	x	y	z	Total
	2.082	0.644	0.000	2.179
CHELPG
AIM
ESP

	x	y	z
x	5.793	-0.046	0.000
y	-0.046	5.087	0.000
z	0.000	0.000	4.649

<r²>	51.532
(<r²>)^1/2	7.179

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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