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	hartrees
Energy at 0K	-154.360683
Energy at 298.15K	-154.365777
HF Energy	-154.360683
Nuclear repulsion energy	74.334278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	2998	23.75
2	A'	3055	2922	14.42
3	A'	2922	2795	28.77
4	A'	1493	1428	6.86
5	A'	1418	1356	29.87
6	A'	1390	1329	17.00
7	A'	1352	1293	9.81
8	A'	1107	1059	3.46
9	A'	1100	1052	17.70
10	A'	903	864	0.38
11	A'	438	419	7.56
12	A"	3142	3006	22.01
13	A"	2940	2812	9.19
14	A"	1484	1420	7.07
15	A"	1244	1189	0.18
16	A"	872	835	0.00
17	A"	338	324	26.05
18	A"	183	175	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.048	-0.586	0.000
C2	0.000	0.520	0.000
O3	-1.303	0.079	0.000
H4	2.060	-0.169	0.000
H5	0.933	-1.215	0.885
H6	0.933	-1.215	-0.885
H7	0.106	1.184	0.873
H8	0.106	1.184	-0.873

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5232	2.4432	1.0942	1.0919	1.0919	2.1867	2.1867
C2	1.5232		1.3758	2.1720	2.1594	2.1594	1.1023	1.1023
O3	2.4432	1.3758		3.3721	2.7310	2.7310	1.9924	1.9924
H4	1.0942	2.1720	3.3721		1.7735	1.7735	2.5321	2.5321
H5	1.0919	2.1594	2.7310	1.7735		1.7701	2.5376	3.0872
H6	1.0919	2.1594	2.7310	1.7735	1.7701		3.0872	2.5376
H7	2.1867	1.1023	1.9924	2.5321	2.5376	3.0872		1.7464
H8	2.1867	1.1023	1.9924	2.5321	3.0872	2.5376	1.7464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.775	C1	C2	H7	111.795
C1	C2	H8	111.795	C2	C1	H4	111.102
C2	C1	H5	110.239	C2	C1	H6	110.239
O3	C2	H7	106.510	O3	C2	H8	106.510
H4	C1	H5	108.441	H4	C1	H6	108.441
H5	C1	H6	108.302	H7	C2	H8	104.778

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

using model chemistry: wB97X-D/6-311G**

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	-0.337
2	C	-0.075
3	O	-0.235
4	H	0.110
5	H	0.127
6	H	0.127
7	H	0.142
8	H	0.142

	x	y	z	Total
	1.927	0.685	0.000	2.045
CHELPG
AIM
ESP

	x	y	z
x	4.408	0.015	0.000
y	0.015	3.997	0.000
z	0.000	0.000	3.894

<r²>	50.876
(<r²>)^1/2	7.133

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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