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	hartrees
Energy at 0K	-153.485650
Energy at 298.15K
HF Energy	-153.485650
Nuclear repulsion energy	73.144987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3000	16.78
2	A'	3083	2927	10.08
3	A'	2993	2842	23.43
4	A'	1565	1486	9.44
5	A'	1484	1410	15.54
6	A'	1459	1386	16.10
7	A'	1373	1304	2.47
8	A'	1123	1067	6.84
9	A'	1031	980	16.97
10	A'	872	828	0.19
11	A'	396	376	6.06
12	A"	3167	3008	15.90
13	A"	3019	2867	6.03
14	A"	1555	1477	6.33
15	A"	1296	1231	1.47
16	A"	914	868	0.34
17	A"	256	243	11.48
18	A"	295i	280i	44.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.075	-0.553	0.000
C2	0.000	0.533	0.000
O3	-1.333	0.027	0.000
H4	2.074	-0.107	0.000
H5	0.970	-1.184	0.887
H6	0.970	-1.184	-0.887
H7	0.101	1.193	0.877
H8	0.101	1.193	-0.877

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5278	2.4769	1.0944	1.0935	1.0935	2.1837	2.1837
C2	1.5278		1.4260	2.1709	2.1624	2.1624	1.1028	1.1028
O3	2.4769	1.4260		3.4103	2.7495	2.7495	2.0460	2.0460
H4	1.0944	2.1709	3.4103		1.7791	1.7791	2.5213	2.5213
H5	1.0935	2.1624	2.7495	1.7791		1.7734	2.5317	3.0857
H6	1.0935	2.1624	2.7495	1.7791	1.7734		3.0857	2.5317
H7	2.1837	1.1028	2.0460	2.5213	2.5317	3.0857		1.7547
H8	2.1837	1.1028	2.0460	2.5213	3.0857	2.5317	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.935	C1	C2	H7	111.192
C1	C2	H8	111.192	C2	C1	H4	110.675
C2	C1	H5	110.064	C2	C1	H6	110.064
O3	C2	H7	107.324	O3	C2	H8	107.324
H4	C1	H5	108.807	H4	C1	H6	108.807
H5	C1	H6	108.372	H7	C2	H8	105.412

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

using model chemistry: mPW1PW91/3-21G*

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	-0.656
2	C	-0.216
3	O	-0.293
4	H	0.209
5	H	0.232
6	H	0.232
7	H	0.246
8	H	0.246

	x	y	z	Total
	1.870	0.757	0.000	2.017
CHELPG
AIM
ESP

	x	y	z
x	3.746	0.071	0.000
y	0.071	3.279	0.000
z	0.000	0.000	3.453

<r²>	51.739
(<r²>)^1/2	7.193

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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