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	hartrees
Energy at 0K	-153.525699
Energy at 298.15K
HF Energy	-153.525699
Nuclear repulsion energy	74.401943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	2923	40.46
2	A'	3165	2869	14.89
3	A'	3139	2845	32.39
4	A'	1614	1463	4.54
5	A'	1568	1421	9.13
6	A'	1542	1398	14.89
7	A'	1507	1366	6.94
8	A'	1193	1082	7.33
9	A'	1150	1042	35.98
10	A'	954	865	2.35
11	A'	457	414	5.93
12	A"	3237	2934	47.59
13	A"	3166	2870	15.06
14	A"	1599	1450	3.21
15	A"	1368	1240	0.37
16	A"	923	837	0.01
17	A"	264	240	3.95
18	A"	145i	131i	15.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.046	-0.570	0.000
C2	0.000	0.529	0.000
O3	-1.300	0.055	0.000
H4	2.044	-0.144	0.000
H5	0.941	-1.195	0.878
H6	0.941	-1.195	-0.878
H7	0.099	1.172	0.871
H8	0.099	1.172	-0.871

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5170	2.4285	1.0843	1.0829	1.0829	2.1657	2.1657
C2	1.5170		1.3840	2.1517	2.1514	2.1514	1.0870	1.0870
O3	2.4285	1.3840		3.3501	2.7128	2.7128	1.9908	1.9908
H4	1.0843	2.1517	3.3501		1.7579	1.7579	2.5049	2.5049
H5	1.0829	2.1514	2.7128	1.7579		1.7554	2.5130	3.0612
H6	1.0829	2.1514	2.7128	1.7579	1.7554		3.0612	2.5130
H7	2.1657	1.0870	1.9908	2.5049	2.5130	3.0612		1.7410
H8	2.1657	1.0870	1.9908	2.5049	3.0612	2.5130	1.7410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.601	C1	C2	H7	111.471
C1	C2	H8	111.471	C2	C1	H4	110.510
C2	C1	H5	110.568	C2	C1	H6	110.568
O3	C2	H7	106.730	O3	C2	H8	106.730
H4	C1	H5	108.414	H4	C1	H6	108.414
H5	C1	H6	108.290	H7	C2	H8	106.413

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

using model chemistry: HF/Def2TZVPP

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	-0.140
2	C	0.151
3	O	-0.271
4	H	0.044
5	H	0.054
6	H	0.054
7	H	0.054
8	H	0.054

	x	y	z	Total
	1.842	0.628	0.000	1.946
CHELPG
AIM
ESP

	x	y	z
x	4.315	-0.065	0.000
y	-0.065	4.040	0.000
z	0.000	0.000	3.942

<r²>	50.739
(<r²>)^1/2	7.123

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

using model chemistry: HF/Def2TZVPP

States and conformations

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