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	hartrees
Energy at 0K	-154.376414
Energy at 298.15K	-154.381441
HF Energy	-154.376414
Nuclear repulsion energy	74.467716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3000	20.63
2	A'	3060	2926	13.04
3	A'	2923	2794	24.79
4	A'	1492	1427	5.97
5	A'	1413	1351	26.80
6	A'	1391	1330	16.97
7	A'	1342	1283	10.24
8	A'	1106	1057	4.68
9	A'	1099	1051	15.44
10	A'	902	862	0.54
11	A'	438	419	6.86
12	A"	3146	3008	18.69
13	A"	2937	2808	6.48
14	A"	1484	1419	6.25
15	A"	1240	1185	0.05
16	A"	862	824	0.00
17	A"	310	296	24.20
18	A"	160	153	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.047	-0.585	0.000
C2	0.000	0.518	0.000
O3	-1.302	0.079	0.000
H4	2.054	-0.165	0.000
H5	0.935	-1.212	0.883
H6	0.935	-1.212	-0.883
H7	0.106	1.181	0.871
H8	0.106	1.181	-0.871

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5202	2.4410	1.0913	1.0892	1.0892	2.1819	2.1819
C2	1.5202		1.3740	2.1647	2.1553	2.1553	1.0998	1.0998
O3	2.4410	1.3740		3.3653	2.7296	2.7296	1.9886	1.9886
H4	1.0913	2.1647	3.3653		1.7691	1.7691	2.5230	2.5230
H5	1.0892	2.1553	2.7296	1.7691		1.7667	2.5321	3.0804
H6	1.0892	2.1553	2.7296	1.7691	1.7667		3.0804	2.5321
H7	2.1819	1.0998	1.9886	2.5230	2.5321	3.0804		1.7420
H8	2.1819	1.0998	1.9886	2.5230	3.0804	2.5321	1.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.911	C1	C2	H7	111.770
C1	C2	H8	111.770	C2	C1	H4	110.905
C2	C1	H5	110.281	C2	C1	H6	110.281
O3	C2	H7	106.479	O3	C2	H8	106.479
H4	C1	H5	108.455	H4	C1	H6	108.455
H5	C1	H6	108.394	H7	C2	H8	104.740

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

using model chemistry: wB97X-D/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	-0.246
2	C	0.043
3	O	-0.225
4	H	0.073
5	H	0.090
6	H	0.090
7	H	0.087
8	H	0.087

	x	y	z	Total
	1.925	0.645	0.000	2.030
CHELPG
AIM
ESP

	x	y	z
x	4.777	-0.009	0.000
y	-0.009	4.306	0.000
z	0.000	0.000	4.106

<r²>	50.764
(<r²>)^1/2	7.125

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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