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	hartrees
Energy at 0K	-154.245049
Energy at 298.15K
HF Energy	-154.245049
Nuclear repulsion energy	74.394544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3007	21.87
2	A'	3053	2932	13.26
3	A'	2919	2803	28.52
4	A'	1491	1432	6.87
5	A'	1410	1355	31.63
6	A'	1386	1331	15.88
7	A'	1342	1289	10.44
8	A'	1105	1061	12.35
9	A'	1098	1055	9.16
10	A'	903	867	0.30
11	A'	434	416	7.38
12	A"	3139	3015	19.78
13	A"	2934	2818	8.23
14	A"	1479	1421	7.29
15	A"	1241	1192	0.25
16	A"	859	825	0.00
17	A"	269	258	15.73
18	A"	101i	97i	19.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.038	-0.599	0.000
C2	0.000	0.509	0.000
O3	-1.297	0.101	0.000
H4	2.053	-0.191	0.000
H5	0.920	-1.230	0.884
H6	0.920	-1.230	-0.884
H7	0.128	1.190	0.865
H8	0.128	1.190	-0.865

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5183	2.4373	1.0941	1.0926	1.0926	2.1858	2.1858
C2	1.5183		1.3598	2.1690	2.1572	2.1572	1.1082	1.1082
O3	2.4373	1.3598		3.3625	2.7329	2.7329	1.9911	1.9911
H4	1.0941	2.1690	3.3625		1.7731	1.7731	2.5224	2.5224
H5	1.0926	2.1572	2.7329	1.7731		1.7687	2.5467	3.0895
H6	1.0926	2.1572	2.7329	1.7731	1.7687		3.0895	2.5467
H7	2.1858	1.1082	1.9911	2.5224	2.5467	3.0895		1.7297
H8	2.1858	1.1082	1.9911	2.5224	3.0895	2.5467	1.7297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.635	C1	C2	H7	111.705
C1	C2	H8	111.705	C2	C1	H4	111.222
C2	C1	H5	110.364	C2	C1	H6	110.364
O3	C2	H7	107.126	O3	C2	H8	107.126
H4	C1	H5	108.363	H4	C1	H6	108.363
H5	C1	H6	108.072	H7	C2	H8	102.605

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.354
2	C	-0.087
3	O	-0.233
4	H	0.115
5	H	0.133
6	H	0.133
7	H	0.146
8	H	0.146

	x	y	z	Total
	1.886	0.674	0.000	2.003
CHELPG
AIM
ESP

	x	y	z
x	4.454	0.003	0.000
y	0.003	4.020	0.000
z	0.000	0.000	3.919

<r²>	50.832
(<r²>)^1/2	7.130

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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