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	hartrees
Energy at 0K	-154.343809
Energy at 298.15K	-154.348723
HF Energy	-154.343809
Nuclear repulsion energy	74.263214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3003	18.71
2	A'	3072	2924	13.74
3	A'	2944	2803	24.46
4	A'	1502	1430	7.54
5	A'	1424	1355	33.96
6	A'	1397	1330	19.21
7	A'	1347	1282	8.69
8	A'	1110	1056	15.47
9	A'	1104	1050	5.58
10	A'	906	862	0.36
11	A'	435	414	7.10
12	A"	3166	3013	16.30
13	A"	2966	2823	5.34
14	A"	1492	1420	7.91
15	A"	1246	1186	0.09
16	A"	865	823	0.01
17	A"	269	256	19.45
18	A"	130	124	12.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.043	-0.596	0.000
C2	0.000	0.509	0.000
O3	-1.302	0.097	0.000
H4	2.053	-0.177	0.000
H5	0.932	-1.227	0.885
H6	0.932	-1.227	-0.885
H7	0.121	1.188	0.866
H8	0.121	1.188	-0.866

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5194	2.4446	1.0941	1.0925	1.0925	2.1872	2.1872
C2	1.5194		1.3656	2.1648	2.1602	2.1602	1.1073	1.1073
O3	2.4446	1.3656		3.3661	2.7432	2.7432	1.9913	1.9913
H4	1.0941	2.1648	3.3661		1.7730	1.7730	2.5196	2.5196
H5	1.0925	2.1602	2.7432	1.7730		1.7696	2.5480	3.0917
H6	1.0925	2.1602	2.7432	1.7730	1.7696		3.0917	2.5480
H7	2.1872	1.1073	1.9913	2.5196	2.5480	3.0917		1.7328
H8	2.1872	1.1073	1.9913	2.5196	3.0917	2.5480	1.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.747	C1	C2	H7	111.794
C1	C2	H8	111.794	C2	C1	H4	110.804
C2	C1	H5	110.533	C2	C1	H6	110.533
O3	C2	H7	106.802	O3	C2	H8	106.802
H4	C1	H5	108.359	H4	C1	H6	108.359
H5	C1	H6	108.167	H7	C2	H8	102.966

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.471
2	C	-0.207
3	O	-0.220
4	H	0.165
5	H	0.183
6	H	0.183
7	H	0.184
8	H	0.184

	x	y	z	Total
	2.113	0.713	0.000	2.230
CHELPG
AIM
ESP

	x	y	z
x	4.785	0.041	0.000
y	0.041	4.247	0.000
z	0.000	0.000	4.005

<r²>	51.126
(<r²>)^1/2	7.150

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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