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	hartrees
Energy at 0K	-154.210522
Energy at 298.15K	-154.215491
HF Energy	-154.210522
Nuclear repulsion energy	74.034713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3044	3012	26.51
2	A'	2970	2939	15.94
3	A'	2765	2736	40.68
4	A'	1462	1447	7.11
5	A'	1367	1353	29.91
6	A'	1346	1332	24.66
7	A'	1277	1264	18.39
8	A'	1076	1065	3.66
9	A'	1070	1059	19.42
10	A'	871	862	1.91
11	A'	424	420	8.25
12	A"	3053	3021	21.71
13	A"	2760	2732	10.77
14	A"	1451	1436	9.44
15	A"	1187	1175	0.18
16	A"	835	826	0.15
17	A"	307	304	33.99
18	A"	168	166	3.80

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.621	0.000
C2	0.000	0.501	0.000
O3	-1.302	0.131	0.000
H4	2.066	-0.225	0.000
H5	0.911	-1.258	0.889
H6	0.911	-1.258	-0.889
H7	0.153	1.204	0.863
H8	0.153	1.204	-0.863

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5281	2.4571	1.1023	1.1006	1.1006	2.2040	2.2040
C2	1.5281		1.3536	2.1894	2.1714	2.1714	1.1236	1.1236
O3	2.4571	1.3536		3.3864	2.7602	2.7602	2.0032	2.0032
H4	1.1023	2.1894	3.3864		1.7859	1.7859	2.5386	2.5386
H5	1.1006	2.1714	2.7602	1.7859		1.7781	2.5760	3.1154
H6	1.1006	2.1714	2.7602	1.7859	1.7781		3.1154	2.5760
H7	2.2040	1.1236	2.0032	2.5386	2.5760	3.1154		1.7265
H8	2.2040	1.1236	2.0032	2.5386	3.1154	2.5760	1.7265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.870	C1	C2	H7	111.531
C1	C2	H8	111.531	C2	C1	H4	111.658
C2	C1	H5	110.324	C2	C1	H6	110.324
O3	C2	H7	107.572	O3	C2	H8	107.572
H4	C1	H5	108.330	H4	C1	H6	108.330
H5	C1	H6	107.758	H7	C2	H8	100.406

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

using model chemistry: PBEPBE/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	-0.648
2	C	-0.256
3	O	-0.217
4	H	0.205
5	H	0.226
6	H	0.226
7	H	0.232
8	H	0.232

	x	y	z	Total
	1.946	0.686	0.000	2.063
CHELPG
AIM
ESP

	x	y	z
x	4.800	-0.006	0.000
y	-0.006	4.201	0.000
z	0.000	0.000	4.019

<r²>	51.490
(<r²>)^1/2	7.176

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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