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	hartrees
Energy at 0K	-154.311921
Energy at 298.15K
HF Energy	-154.311921
Nuclear repulsion energy	74.153782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3006	22.11
2	A'	3064	2931	13.34
3	A'	2922	2796	29.77
4	A'	1521	1455	5.85
5	A'	1436	1374	30.10
6	A'	1415	1354	13.05
7	A'	1361	1302	7.91
8	A'	1114	1066	2.84
9	A'	1106	1058	16.79
10	A'	906	867	0.74
11	A'	430	412	6.91
12	A"	3152	3016	19.51
13	A"	2941	2814	9.60
14	A"	1511	1446	5.17
15	A"	1253	1199	0.44
16	A"	865	827	0.01
17	A"	256	244	12.96
18	A"	153i	147i	31.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.042	-0.601	0.000
C2	0.000	0.511	0.000
O3	-1.302	0.102	0.000
H4	2.058	-0.190	0.000
H5	0.925	-1.233	0.886
H6	0.925	-1.233	-0.886
H7	0.130	1.191	0.868
H8	0.130	1.191	-0.868

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5236	2.4470	1.0963	1.0949	1.0949	2.1899	2.1899
C2	1.5236		1.3652	2.1741	2.1642	2.1642	1.1101	1.1101
O3	2.4470	1.3652		3.3730	2.7439	2.7439	1.9977	1.9977
H4	1.0963	2.1741	3.3730		1.7767	1.7767	2.5255	2.5255
H5	1.0949	2.1642	2.7439	1.7767		1.7725	2.5514	3.0962
H6	1.0949	2.1642	2.7439	1.7767	1.7725		3.0962	2.5514
H7	2.1899	1.1101	1.9977	2.5255	2.5514	3.0962		1.7359
H8	2.1899	1.1101	1.9977	2.5255	3.0962	2.5514	1.7359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.676	C1	C2	H7	111.534
C1	C2	H8	111.534	C2	C1	H4	111.116
C2	C1	H5	110.414	C2	C1	H6	110.414
O3	C2	H7	107.169	O3	C2	H8	107.169
H4	C1	H5	108.362	H4	C1	H6	108.362
H5	C1	H6	108.081	H7	C2	H8	102.858

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

using model chemistry: B3PW91/6-31G*

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	-0.522
2	C	-0.094
3	O	-0.300
4	H	0.164
5	H	0.185
6	H	0.185
7	H	0.192
8	H	0.192

	x	y	z	Total
	1.882	0.642	0.000	1.989
CHELPG
AIM
ESP

	x	y	z
x	4.168	0.060	0.000
y	0.060	3.694	0.000
z	0.000	0.000	3.723

<r²>	50.912
(<r²>)^1/2	7.135

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

using model chemistry: B3PW91/6-31G*

States and conformations

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