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	hartrees
Energy at 0K	-154.315659
Energy at 298.15K
HF Energy	-154.315659
Nuclear repulsion energy	73.646256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3032	3015	23.75
2	A'	2963	2947	14.03
3	A'	2754	2739	34.05
4	A'	1457	1449	3.25
5	A'	1360	1353	7.76
6	A'	1340	1333	26.64
7	A'	1268	1261	15.49
8	A'	1063	1057	3.24
9	A'	1042	1037	17.76
10	A'	852	848	2.04
11	A'	415	412	6.32
12	A"	3042	3025	20.19
13	A"	2745	2730	9.99
14	A"	1448	1440	3.62
15	A"	1186	1179	0.02
16	A"	822	818	0.28
17	A"	235	234	14.21
18	A"	161i	160i	31.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.044	-0.628	0.000
C2	0.000	0.506	0.000
O3	-1.311	0.133	0.000
H4	2.069	-0.221	0.000
H5	0.920	-1.262	0.891
H6	0.920	-1.262	-0.891
H7	0.159	1.204	0.866
H8	0.159	1.204	-0.866

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5412	2.4747	1.1024	1.1008	1.1008	2.2110	2.2110
C2	1.5412		1.3632	2.1928	2.1831	2.1831	1.1233	1.1233
O3	2.4747	1.3632		3.3982	2.7779	2.7779	2.0143	2.0143
H4	1.1024	2.1928	3.3982		1.7879	1.7879	2.5355	2.5355
H5	1.1008	2.1831	2.7779	1.7879		1.7826	2.5806	3.1220
H6	1.1008	2.1831	2.7779	1.7879	1.7826		3.1220	2.5806
H7	2.2110	1.1233	2.0143	2.5355	2.5806	3.1220		1.7318
H8	2.2110	1.1233	2.0143	2.5355	3.1220	2.5806	1.7318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.741	C1	C2	H7	111.180
C1	C2	H8	111.180	C2	C1	H4	111.000
C2	C1	H5	110.330	C2	C1	H6	110.330
O3	C2	H7	107.819	O3	C2	H8	107.819
H4	C1	H5	108.484	H4	C1	H6	108.484
H5	C1	H6	108.131	H7	C2	H8	100.856

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.346
2	C	-0.017
3	O	-0.213
4	H	0.097
5	H	0.116
6	H	0.116
7	H	0.123
8	H	0.123

	x	y	z	Total
	1.828	0.577	0.000	1.917
CHELPG
AIM
ESP

	x	y	z
x	4.642	-0.011	0.000
y	-0.011	4.082	0.000
z	0.000	0.000	3.996

<r²>	51.696
(<r²>)^1/2	7.190

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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