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	hartrees
Energy at 0K	-153.521961
Energy at 298.15K
HF Energy	-153.521961
Nuclear repulsion energy	74.375240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3221	39.82
2	A'	3162	3162	14.67
3	A'	3137	3137	30.67
4	A'	1614	1614	4.46
5	A'	1568	1568	9.22
6	A'	1541	1541	14.53
7	A'	1505	1505	7.06
8	A'	1193	1193	7.08
9	A'	1148	1148	36.30
10	A'	953	953	2.41
11	A'	457	457	5.83
12	A"	3233	3233	46.53
13	A"	3163	3163	13.73
14	A"	1599	1599	3.46
15	A"	1367	1367	0.28
16	A"	921	921	0.01
17	A"	262	262	2.97
18	A"	204i	204i	13.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.047	-0.571	0.000
C2	0.000	0.528	0.000
O3	-1.301	0.057	0.000
H4	2.043	-0.143	0.000
H5	0.943	-1.197	0.878
H6	0.943	-1.197	-0.878
H7	0.100	1.172	0.870
H8	0.100	1.172	-0.870

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5175	2.4305	1.0845	1.0831	1.0831	2.1661	2.1661
C2	1.5175		1.3840	2.1508	2.1528	2.1528	1.0875	1.0875
O3	2.4305	1.3840		3.3508	2.7166	2.7166	1.9910	1.9910
H4	1.0845	2.1508	3.3508		1.7580	1.7580	2.5032	2.5032
H5	1.0831	2.1528	2.7166	1.7580		1.7556	2.5145	3.0625
H6	1.0831	2.1528	2.7166	1.7580	1.7556		3.0625	2.5145
H7	2.1661	1.0875	1.9910	2.5032	2.5145	3.0625		1.7408
H8	2.1661	1.0875	1.9910	2.5032	3.0625	2.5145	1.7408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.717	C1	C2	H7	111.450
C1	C2	H8	111.450	C2	C1	H4	110.402
C2	C1	H5	110.639	C2	C1	H6	110.639
O3	C2	H7	106.728	O3	C2	H8	106.728
H4	C1	H5	108.398	H4	C1	H6	108.398
H5	C1	H6	108.287	H7	C2	H8	106.334

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

using model chemistry: ROHF/aug-cc-pVTZ

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	-0.923
2	C	-0.091
3	O	-0.492
4	H	0.315
5	H	0.284
6	H	0.284
7	H	0.311
8	H	0.311

	x	y	z	Total
	1.865	0.626	0.000	1.967
CHELPG
AIM
ESP

<r²>	50.787
(<r²>)^1/2	7.126

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

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

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