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	hartrees
Energy at 0K	-154.208682
Energy at 298.15K
HF Energy	-154.208682
Nuclear repulsion energy	74.281628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3013	19.45
2	A'	3072	2931	12.03
3	A'	2936	2802	27.14
4	A'	1506	1437	5.42
5	A'	1426	1361	29.70
6	A'	1401	1337	11.93
7	A'	1350	1288	8.17
8	A'	1113	1062	8.14
9	A'	1111	1061	10.93
10	A'	910	868	0.54
11	A'	431	412	6.91
12	A"	3166	3021	17.30
13	A"	2959	2824	8.77
14	A"	1496	1428	4.88
15	A"	1248	1191	0.46
16	A"	857	818	0.00
17	A"	255	244	11.03
18	A"	204i	194i	33.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.040	-0.597	0.000
C2	0.000	0.511	0.000
O3	-1.300	0.098	0.000
H4	2.054	-0.187	0.000
H5	0.924	-1.229	0.885
H6	0.924	-1.229	-0.885
H7	0.129	1.191	0.866
H8	0.129	1.191	-0.866

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5197	2.4405	1.0947	1.0934	1.0934	2.1855	2.1855
C2	1.5197		1.3640	2.1697	2.1598	2.1598	1.1087	1.1087
O3	2.4405	1.3640		3.3662	2.7365	2.7365	1.9968	1.9968
H4	1.0947	2.1697	3.3662		1.7740	1.7740	2.5208	2.5208
H5	1.0934	2.1598	2.7365	1.7740		1.7700	2.5469	3.0909
H6	1.0934	2.1598	2.7365	1.7740	1.7700		3.0909	2.5469
H7	2.1855	1.1087	1.9968	2.5208	2.5469	3.0909		1.7329
H8	2.1855	1.1087	1.9968	2.5208	3.0909	2.5469	1.7329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.522	C1	C2	H7	111.553
C1	C2	H8	111.553	C2	C1	H4	111.140
C2	C1	H5	110.424	C2	C1	H6	110.424
O3	C2	H7	107.266	O3	C2	H8	107.266
H4	C1	H5	108.343	H4	C1	H6	108.343
H5	C1	H6	108.072	H7	C2	H8	102.794

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

using model chemistry: HSEh1PBE/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	-0.405
2	C	-0.016
3	O	-0.307
4	H	0.126
5	H	0.147
6	H	0.147
7	H	0.154
8	H	0.154

	x	y	z	Total
	1.864	0.633	0.000	1.969
CHELPG
AIM
ESP

	x	y	z
x	4.182	0.049	0.000
y	0.049	3.739	0.000
z	0.000	0.000	3.762

<r²>	50.765
(<r²>)^1/2	7.125

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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