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	hartrees
Energy at 0K	-154.433374
Energy at 298.15K	-154.438174
HF Energy	-154.433374
Nuclear repulsion energy	74.269709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	2992	22.49
2	A'	3032	2930	13.67
3	A'	2882	2786	27.02
4	A'	1496	1446	5.62
5	A'	1408	1361	17.73
6	A'	1391	1345	23.70
7	A'	1333	1288	10.93
8	A'	1098	1061	6.90
9	A'	1070	1034	15.22
10	A'	886	856	0.60
11	A'	433	419	6.94
12	A"	3106	3002	19.83
13	A"	2882	2785	6.04
14	A"	1485	1436	5.80
15	A"	1239	1198	0.01
16	A"	861	832	0.01
17	A"	260	252	17.69
18	A"	73	71	13.80

Atom	x (Å)	y (Å)	z (Å)
C1	1.042	-0.602	0.000
C2	0.000	0.508	0.000
O3	-1.302	0.105	0.000
H4	2.051	-0.187	0.000
H5	0.928	-1.231	0.883
H6	0.928	-1.231	-0.883
H7	0.130	1.189	0.863
H8	0.130	1.189	-0.863

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5225	2.4481	1.0918	1.0900	1.0900	2.1877	2.1877
C2	1.5225		1.3633	2.1661	2.1603	2.1603	1.1070	1.1070
O3	2.4481	1.3633		3.3663	2.7459	2.7459	1.9928	1.9928
H4	1.0918	2.1661	3.3663		1.7694	1.7694	2.5164	2.5164
H5	1.0900	2.1603	2.7459	1.7694		1.7662	2.5489	3.0895
H6	1.0900	2.1603	2.7459	1.7694	1.7662		3.0895	2.5489
H7	2.1877	1.1070	1.9928	2.5164	2.5489	3.0895		1.7258
H8	2.1877	1.1070	1.9928	2.5164	3.0895	2.5489	1.7258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.950	C1	C2	H7	111.631
C1	C2	H8	111.631	C2	C1	H4	110.822
C2	C1	H5	110.469	C2	C1	H6	110.469
O3	C2	H7	107.098	O3	C2	H8	107.098
H4	C1	H5	108.387	H4	C1	H6	108.387
H5	C1	H6	108.226	H7	C2	H8	102.437

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

using model chemistry: B3LYP/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	-0.277
2	C	0.033
3	O	-0.232
4	H	0.082
5	H	0.101
6	H	0.101
7	H	0.096
8	H	0.096

	x	y	z	Total
	1.930	0.649	0.000	2.036
CHELPG
AIM
ESP

	x	y	z
x	4.886	-0.022	0.000
y	-0.022	4.378	0.000
z	0.000	0.000	4.176

<r²>	51.165
(<r²>)^1/2	7.153

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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