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	hartrees
Energy at 0K	-152.376427
Energy at 298.15K	-152.381743
HF Energy	-152.376427
Nuclear repulsion energy	72.242310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3555	0.09
2	A'	3383	3383	0.08
3	A'	3333	3333	2.00
4	A'	1696	1696	3.90
5	A'	1617	1617	3.45
6	A'	1576	1576	2.24
7	A'	1501	1501	9.16
8	A'	1188	1188	2.09
9	A'	1159	1159	7.13
10	A'	981	981	2.55
11	A'	410	410	1.72
12	A"	3560	3560	0.06
13	A"	3439	3439	0.01
14	A"	1688	1688	3.75
15	A"	1445	1445	12.08
16	A"	1268	1268	14.66
17	A"	821	821	1.32
18	A"	178	178	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.089	-0.566	0.000
C2	0.000	0.543	0.000
O3	-1.357	0.034	0.000
H4	2.087	-0.113	0.000
H5	0.990	-1.198	0.889
H6	0.990	-1.198	-0.889
H7	0.124	1.190	0.890
H8	0.124	1.190	-0.890

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5543	2.5185	1.0958	1.0952	1.0952	2.1926	2.1926
C2	1.5543		1.4490	2.1877	2.1909	2.1909	1.1078	1.1078
O3	2.5185	1.4490		3.4469	2.7956	2.7956	2.0793	2.0793
H4	1.0958	2.1877	3.4469		1.7804	1.7804	2.5185	2.5185
H5	1.0952	2.1909	2.7956	1.7804		1.7784	2.5399	3.1012
H6	1.0952	2.1909	2.7956	1.7804	1.7784		3.1012	2.5399
H7	2.1926	1.1078	2.0793	2.5185	2.5399	3.1012		1.7804
H8	2.1926	1.1078	2.0793	2.5185	3.1012	2.5399	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.932	C1	C2	H7	109.765
C1	C2	H8	109.765	C2	C1	H4	110.075
C2	C1	H5	110.363	C2	C1	H6	110.363
O3	C2	H7	108.088	O3	C2	H8	108.088
H4	C1	H5	108.709	H4	C1	H6	108.709
H5	C1	H6	108.572	H7	C2	H8	106.953

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

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

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	-0.220
2	C	-0.063
3	O	-0.102
4	H	0.073
5	H	0.075
6	H	0.075
7	H	0.081
8	H	0.081

	x	y	z	Total
	1.146	0.463	0.000	1.236
CHELPG
AIM
ESP

	x	y	z
x	2.117	0.072	0.000
y	0.072	1.706	0.000
z	0.000	0.000	1.689

<r²>	51.913
(<r²>)^1/2	7.205

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

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

States and conformations

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