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	hartrees
Energy at 0K	-154.386779
Energy at 298.15K	-154.391632
HF Energy	-154.386779
Nuclear repulsion energy	73.970446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	3003	22.34
2	A'	3043	2934	15.47
3	A'	2902	2798	26.65
4	A'	1499	1446	7.14
5	A'	1416	1365	25.23
6	A'	1391	1341	25.42
7	A'	1337	1289	9.30
8	A'	1098	1059	6.85
9	A'	1077	1039	15.59
10	A'	889	857	0.38
11	A'	433	418	7.21
12	A"	3127	3015	19.48
13	A"	2911	2807	5.35
14	A"	1489	1436	7.25
15	A"	1238	1193	0.01
16	A"	862	831	0.01
17	A"	261	251	17.88
18	A"	108	104	14.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.048	-0.599	0.000
C2	0.000	0.510	0.000
O3	-1.308	0.098	0.000
H4	2.060	-0.177	0.000
H5	0.938	-1.231	0.887
H6	0.938	-1.231	-0.887
H7	0.121	1.192	0.868
H8	0.121	1.192	-0.868

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5264	2.4576	1.0962	1.0943	1.0943	2.1959	2.1959
C2	1.5264		1.3717	2.1713	2.1676	2.1676	1.1102	1.1102
O3	2.4576	1.3717		3.3792	2.7564	2.7564	1.9983	1.9983
H4	1.0962	2.1713	3.3792		1.7768	1.7768	2.5269	2.5269
H5	1.0943	2.1676	2.7564	1.7768		1.7730	2.5574	3.1012
H6	1.0943	2.1676	2.7564	1.7768	1.7730		3.1012	2.5574
H7	2.1959	1.1102	1.9983	2.5269	2.5574	3.1012		1.7356
H8	2.1959	1.1102	1.9983	2.5269	3.1012	2.5574	1.7356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.885	C1	C2	H7	111.808
C1	C2	H8	111.808	C2	C1	H4	110.703
C2	C1	H5	110.514	C2	C1	H6	110.514
O3	C2	H7	106.772	O3	C2	H8	106.772
H4	C1	H5	108.412	H4	C1	H6	108.412
H5	C1	H6	108.207	H7	C2	H8	102.823

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

using model chemistry: B3LYP/6-31+G**

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	-0.418
2	C	-0.129
3	O	-0.246
4	H	0.144
5	H	0.162
6	H	0.162
7	H	0.163
8	H	0.163

	x	y	z	Total
	2.157	0.725	0.000	2.275
CHELPG
AIM
ESP

	x	y	z
x	4.939	0.047	0.000
y	0.047	4.347	0.000
z	0.000	0.000	4.079

<r²>	51.624
(<r²>)^1/2	7.185

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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