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	hartrees
Energy at 0K	-154.274121
Energy at 298.15K
HF Energy	-154.274121
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	3007	29.65
2	A'	2991	2933	18.05
3	A'	2808	2753	39.79
4	A'	1497	1467	4.57
5	A'	1403	1376	21.65
6	A'	1383	1356	19.64
7	A'	1316	1291	10.61
8	A'	1090	1068	2.42
9	A'	1071	1050	18.83
10	A'	876	858	1.74
11	A'	425	417	7.22
12	A"	3080	3020	25.47
13	A"	2817	2762	16.07
14	A"	1488	1459	4.47
15	A"	1219	1195	0.26
16	A"	842	826	0.21
17	A"	245	241	10.92
18	A"	224i	220i	43.91

Atom	x (Å)	y (Å)	z (Å)
C1	1.045	-0.614	0.000
C2	0.000	0.508	0.000
O3	-1.309	0.117	0.000
H4	2.067	-0.202	0.000
H5	0.924	-1.247	0.890
H6	0.924	-1.247	-0.890
H7	0.144	1.199	0.869
H8	0.144	1.199	-0.869

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5332	2.4652	1.1012	1.0994	1.0994	2.2027	2.2027
C2	1.5332		1.3665	2.1856	2.1739	2.1739	1.1192	1.1192
O3	2.4652	1.3665		3.3912	2.7637	2.7637	2.0092	2.0092
H4	1.1012	2.1856	3.3912		1.7863	1.7863	2.5331	2.5331
H5	1.0994	2.1739	2.7637	1.7863		1.7808	2.5669	3.1119
H6	1.0994	2.1739	2.7637	1.7863	1.7808		3.1119	2.5669
H7	2.2027	1.1192	2.0092	2.5331	2.5669	3.1119		1.7380
H8	2.2027	1.1192	2.0092	2.5331	3.1119	2.5669	1.7380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.520	C1	C2	H7	111.573
C1	C2	H8	111.573	C2	C1	H4	111.457
C2	C1	H5	110.177	C2	C1	H6	110.177
O3	C2	H7	106.667	O3	C2	H8	106.667
H4	C1	H5	108.367	H4	C1	H6	108.367
H5	C1	H6	108.207	H7	C2	H8	104.053

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

using model chemistry: B97D3/6-31G*

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	-0.465
2	C	-0.055
3	O	-0.303
4	H	0.144
5	H	0.167
6	H	0.167
7	H	0.173
8	H	0.173

	x	y	z	Total
	1.898	0.630	0.000	1.999
CHELPG
AIM
ESP

	x	y	z
x	4.407	0.056	0.000
y	0.056	3.807	0.000
z	0.000	0.000	3.827

<r²>	51.391
(<r²>)^1/2	7.169

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

using model chemistry: B97D3/6-31G*

States and conformations

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