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	hartrees
Energy at 0K	-154.249639
Energy at 298.15K	-154.254974
HF Energy	-154.249639
Nuclear repulsion energy	73.469696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3163	17.36
2	A'	3080	3080	10.61
3	A'	3023	3023	19.34
4	A'	1543	1543	9.51
5	A'	1477	1477	17.01
6	A'	1462	1462	14.25
7	A'	1400	1400	3.96
8	A'	1137	1137	8.47
9	A'	1085	1085	13.09
10	A'	906	906	0.14
11	A'	423	423	7.77
12	A"	3172	3172	17.40
13	A"	3054	3054	5.00
14	A"	1532	1532	6.74
15	A"	1289	1289	0.24
16	A"	948	948	0.33
17	A"	563	563	15.88
18	A"	208	208	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	1.068	-0.548	0.000
C2	0.000	0.533	0.000
O3	-1.322	0.021	0.000
H4	2.069	-0.108	0.000
H5	0.968	-1.181	0.885
H6	0.968	-1.181	-0.885
H7	0.084	1.195	0.876
H8	0.084	1.195	-0.876

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5196	2.4573	1.0937	1.0927	1.0927	2.1849	2.1849
C2	1.5196		1.4181	2.1661	2.1580	2.1580	1.1014	1.1014
O3	2.4573	1.4181		3.3940	2.7337	2.7337	2.0308	2.0308
H4	1.0937	2.1661	3.3940		1.7742	1.7742	2.5309	2.5309
H5	1.0927	2.1580	2.7337	1.7742		1.7702	2.5348	3.0867
H6	1.0927	2.1580	2.7337	1.7742	1.7702		3.0867	2.5348
H7	2.1849	1.1014	2.0308	2.5309	2.5348	3.0867		1.7526
H8	2.1849	1.1014	2.0308	2.5309	3.0867	2.5348	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.491	C1	C2	H7	111.955
C1	C2	H8	111.955	C2	C1	H4	110.916
C2	C1	H5	110.333	C2	C1	H6	110.333
O3	C2	H7	106.747	O3	C2	H8	106.747
H4	C1	H5	108.489	H4	C1	H6	108.489
H5	C1	H6	108.204	H7	C2	H8	105.426

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

using model chemistry: M06-2X/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	-0.445
2	C	-0.109
3	O	-0.313
4	H	0.149
5	H	0.169
6	H	0.169
7	H	0.190
8	H	0.190

	x	y	z	Total
	2.134	0.823	0.000	2.287
CHELPG
AIM
ESP

	x	y	z
x	3.917	0.128	0.000
y	0.128	3.445	0.000
z	0.000	0.000	3.548

<r²>	51.565
(<r²>)^1/2	7.181

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

using model chemistry: M06-2X/6-31G

States and conformations

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