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	hartrees
Energy at 0K	-152.246565
Energy at 298.15K
HF Energy	-152.246565
Nuclear repulsion energy	72.127226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3121	0.54
2	A'	3359	2966	0.50
3	A'	3295	2910	3.89
4	A'	1696	1498	4.48
5	A'	1607	1419	5.04
6	A'	1572	1388	3.06
7	A'	1495	1320	8.67
8	A'	1181	1043	3.60
9	A'	1152	1017	7.41
10	A'	975	861	2.93
11	A'	414	366	1.58
12	A"	3541	3127	0.84
13	A"	3394	2998	7.01
14	A"	1688	1491	2.83
15	A"	1360	1201	2.18
16	A"	905	799	0.22
17	A"	223	197	3.48
18	A"	409i	361i	59.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.092	-0.570	0.000
C2	0.000	0.538	0.000
O3	-1.361	0.042	0.000
H4	2.091	-0.115	0.000
H5	0.996	-1.204	0.891
H6	0.996	-1.204	-0.891
H7	0.129	1.189	0.891
H8	0.129	1.189	-0.891

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5554	2.5281	1.0981	1.0973	1.0973	2.1943	2.1943
C2	1.5554		1.4487	2.1907	2.1951	2.1951	1.1113	1.1113
O3	2.5281	1.4487		3.4559	2.8108	2.8108	2.0810	2.0810
H4	1.0981	2.1907	3.4559		1.7828	1.7828	2.5189	2.5189
H5	1.0973	2.1951	2.8108	1.7828		1.7811	2.5450	3.1068
H6	1.0973	2.1951	2.8108	1.7828	1.7811		3.1068	2.5450
H7	2.1943	1.1113	2.0810	2.5189	2.5450	3.1068		1.7826
H8	2.1943	1.1113	2.0810	2.5189	3.1068	2.5450	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.561	C1	C2	H7	109.622
C1	C2	H8	109.622	C2	C1	H4	110.101
C2	C1	H5	110.493	C2	C1	H6	110.493
O3	C2	H7	108.037	O3	C2	H8	108.037
H4	C1	H5	108.598	H4	C1	H6	108.598
H5	C1	H6	108.500	H7	C2	H8	106.654

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.241
2	C	-0.080
3	O	-0.097
4	H	0.080
5	H	0.082
6	H	0.082
7	H	0.087
8	H	0.087

	x	y	z	Total
	1.144	0.458	0.000	1.233
CHELPG
AIM
ESP

	x	y	z
x	2.143	0.078	0.000
y	0.078	1.704	0.000
z	0.000	0.000	1.987

<r²>	52.058
(<r²>)^1/2	7.215

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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