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	hartrees
Energy at 0K	-153.440472
Energy at 298.15K
HF Energy	-153.440472
Nuclear repulsion energy	72.983192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2982	10.46
2	A'	3039	2913	6.15
3	A'	3023	2898	16.86
4	A'	1559	1494	8.79
5	A'	1495	1433	11.89
6	A'	1456	1396	13.41
7	A'	1386	1328	3.30
8	A'	1118	1072	6.60
9	A'	1040	997	15.47
10	A'	879	842	0.08
11	A'	391	375	6.11
12	A"	3122	2993	11.30
13	A"	3045	2920	1.63
14	A"	1543	1479	5.59
15	A"	1295	1241	1.36
16	A"	901	864	0.42
17	A"	193	185	8.54
18	A"	422i	405i	43.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.079	-0.545	0.000
C2	0.000	0.542	0.000
O3	-1.335	0.010	0.000
H4	2.077	-0.099	0.000
H5	0.974	-1.176	0.887
H6	0.974	-1.176	-0.887
H7	0.090	1.196	0.880
H8	0.090	1.196	-0.880

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5316	2.4765	1.0937	1.0931	1.0931	2.1879	2.1879
C2	1.5316		1.4366	2.1736	2.1643	2.1643	1.1005	1.1005
O3	2.4765	1.4366		3.4135	2.7422	2.7422	2.0518	2.0518
H4	1.0937	2.1736	3.4135		1.7790	1.7790	2.5302	2.5302
H5	1.0931	2.1643	2.7422	1.7790		1.7734	2.5316	3.0871
H6	1.0931	2.1643	2.7422	1.7790	1.7734		3.0871	2.5316
H7	2.1879	1.1005	2.0518	2.5302	2.5316	3.0871		1.7601
H8	2.1879	1.1005	2.0518	2.5302	3.0871	2.5316	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.059	C1	C2	H7	111.401
C1	C2	H8	111.401	C2	C1	H4	110.672
C2	C1	H5	109.970	C2	C1	H6	109.970
O3	C2	H7	107.203	O3	C2	H8	107.203
H4	C1	H5	108.880	H4	C1	H6	108.880
H5	C1	H6	108.422	H7	C2	H8	106.205

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

using model chemistry: M06-2X/3-21G

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	-0.600
2	C	-0.187
3	O	-0.294
4	H	0.193
5	H	0.214
6	H	0.214
7	H	0.230
8	H	0.230

	x	y	z	Total
	1.882	0.772	0.000	2.034
CHELPG
AIM
ESP

	x	y	z
x	3.653	0.066	0.000
y	0.066	3.226	0.000
z	0.000	0.000	3.406

<r²>	51.931
(<r²>)^1/2	7.206

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

using model chemistry: M06-2X/3-21G

States and conformations

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