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	hartrees
Energy at 0K	-153.551270
Energy at 298.15K	-153.556331
HF Energy	-153.551270
Nuclear repulsion energy	74.783366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	3030	10.95
2	A'	2994	2938	5.14
3	A'	2711	2660	34.64
4	A'	1437	1410	4.86
5	A'	1364	1339	46.39
6	A'	1333	1308	11.11
7	A'	1219	1196	16.55
8	A'	1129	1108	14.99
9	A'	1074	1054	13.78
10	A'	890	873	3.14
11	A'	428	420	10.52
12	A"	3091	3033	6.12
13	A"	2698	2647	4.76
14	A"	1422	1396	9.24
15	A"	1144	1123	0.47
16	A"	813	797	0.04
17	A"	367	360	43.50
18	A"	189	186	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.014	-0.633	0.000
C2	0.000	0.485	0.000
O3	-1.283	0.156	0.000
H4	2.047	-0.247	0.000
H5	0.878	-1.269	0.890
H6	0.878	-1.269	-0.890
H7	0.189	1.210	0.849
H8	0.189	1.210	-0.849

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5087	2.4287	1.1025	1.1019	1.1019	2.1906	2.1906
C2	1.5087		1.3244	2.1735	2.1533	2.1533	1.1330	1.1330
O3	2.4287	1.3244		3.3541	2.7375	2.7375	1.9998	1.9998
H4	1.1025	2.1735	3.3541		1.7890	1.7890	2.5092	2.5092
H5	1.1019	2.1533	2.7375	1.7890		1.7791	2.5735	3.1056
H6	1.1019	2.1533	2.7375	1.7890	1.7791		3.1056	2.5735
H7	2.1906	1.1330	1.9998	2.5092	2.5735	3.1056		1.6986
H8	2.1906	1.1330	1.9998	2.5092	3.1056	2.5735	1.6986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	117.876	C1	C2	H7	111.237
C1	C2	H8	111.237	C2	C1	H4	111.741
C2	C1	H5	110.168	C2	C1	H6	110.168
O3	C2	H7	108.685	O3	C2	H8	108.685
H4	C1	H5	108.496	H4	C1	H6	108.496
H5	C1	H6	107.659	H7	C2	H8	97.106

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

using model chemistry: LSDA/6-31G**

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	-0.441
2	C	-0.058
3	O	-0.307
4	H	0.134
5	H	0.164
6	H	0.164
7	H	0.172
8	H	0.172

	x	y	z	Total
	2.150	0.634	0.000	2.242
CHELPG
AIM
ESP

	x	y	z
x	4.598	0.045	0.000
y	0.045	3.984	0.000
z	0.000	0.000	3.871

<r²>	50.470
(<r²>)^1/2	7.104

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

using model chemistry: LSDA/6-31G**

States and conformations

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