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	hartrees
Energy at 0K	-154.337018
Energy at 298.15K	-154.341826
HF Energy	-154.337018
Nuclear repulsion energy	74.100496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3052	3009	26.41
2	A'	2981	2939	16.33
3	A'	2788	2749	35.25
4	A'	1464	1444	4.71
5	A'	1370	1351	14.87
6	A'	1350	1331	27.28
7	A'	1276	1259	16.80
8	A'	1071	1056	4.25
9	A'	1056	1041	19.61
10	A'	863	850	1.85
11	A'	427	421	7.30
12	A"	3062	3020	22.10
13	A"	2785	2746	10.40
14	A"	1454	1434	5.98
15	A"	1196	1179	0.00
16	A"	834	822	0.11
17	A"	257	254	24.50
18	A"	101	100	11.98

Atom	x (Å)	y (Å)	z (Å)
C1	1.040	-0.618	0.000
C2	0.000	0.502	0.000
O3	-1.305	0.126	0.000
H4	2.056	-0.206	0.000
H5	0.921	-1.248	0.887
H6	0.921	-1.248	-0.887
H7	0.149	1.196	0.861
H8	0.149	1.196	-0.861

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5281	2.4599	1.0961	1.0943	1.0943	2.1968	2.1968
C2	1.5281		1.3577	2.1742	2.1669	2.1669	1.1162	1.1162
O3	2.4599	1.3577		3.3769	2.7617	2.7617	1.9997	1.9997
H4	1.0961	2.1742	3.3769		1.7777	1.7777	2.5187	2.5187
H5	1.0943	2.1669	2.7617	1.7777		1.7733	2.5631	3.1023
H6	1.0943	2.1669	2.7617	1.7777	1.7733		3.1023	2.5631
H7	2.1968	1.1162	1.9997	2.5187	2.5631	3.1023		1.7225
H8	2.1968	1.1162	1.9997	2.5187	3.1023	2.5631	1.7225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.735	C1	C2	H7	111.671
C1	C2	H8	111.671	C2	C1	H4	111.250
C2	C1	H5	110.234	C2	C1	H6	110.234
O3	C2	H7	106.522	O3	C2	H8	106.522
H4	C1	H5	108.372	H4	C1	H6	108.372
H5	C1	H6	108.297	H7	C2	H8	103.873

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

using model chemistry: B97D3/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	-0.245
2	C	0.047
3	O	-0.229
4	H	0.070
5	H	0.091
6	H	0.091
7	H	0.087
8	H	0.087

	x	y	z	Total
	1.948	0.631	0.000	2.047
CHELPG
AIM
ESP

	x	y	z
x	5.167	-0.038	0.000
y	-0.038	4.539	0.000
z	0.000	0.000	4.292

<r²>	51.371
(<r²>)^1/2	7.167

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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