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	hartrees
Energy at 0K	-154.328338
Energy at 298.15K	-154.333253
HF Energy	-154.328338
Nuclear repulsion energy	74.575229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3012	26.90
2	A'	3066	2939	15.53
3	A'	2923	2802	32.94
4	A'	1514	1451	7.38
5	A'	1428	1369	35.11
6	A'	1405	1347	17.60
7	A'	1357	1300	9.89
8	A'	1113	1067	9.84
9	A'	1106	1060	11.26
10	A'	907	870	0.37
11	A'	432	414	7.60
12	A"	3150	3019	24.42
13	A"	2933	2812	9.02
14	A"	1503	1441	7.69
15	A"	1252	1200	0.24
16	A"	871	835	0.01
17	A"	288	276	21.49
18	A"	115	110	11.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.035	-0.599	0.000
C2	0.000	0.508	0.000
O3	-1.293	0.103	0.000
H4	2.050	-0.197	0.000
H5	0.917	-1.230	0.881
H6	0.917	-1.230	-0.881
H7	0.127	1.189	0.862
H8	0.127	1.189	-0.862

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5153	2.4319	1.0914	1.0900	1.0900	2.1832	2.1832
C2	1.5153		1.3551	2.1675	2.1531	2.1531	1.1063	1.1063
O3	2.4319	1.3551		3.3564	2.7274	2.7274	1.9849	1.9849
H4	1.0914	2.1675	3.3564		1.7678	1.7678	2.5224	2.5224
H5	1.0900	2.1531	2.7274	1.7678		1.7625	2.5449	3.0846
H6	1.0900	2.1531	2.7274	1.7678	1.7625		3.0846	2.5449
H7	2.1832	1.1063	1.9849	2.5224	2.5449	3.0846		1.7240
H8	2.1832	1.1063	1.9849	2.5224	3.0846	2.5449	1.7240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.715	C1	C2	H7	111.824
C1	C2	H8	111.824	C2	C1	H4	111.471
C2	C1	H5	110.404	C2	C1	H6	110.404
O3	C2	H7	107.062	O3	C2	H8	107.062
H4	C1	H5	108.276	H4	C1	H6	108.276
H5	C1	H6	107.901	H7	C2	H8	102.367

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

using model chemistry: B1B95/6-311G*

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	-0.658
2	C	-0.254
3	O	-0.226
4	H	0.211
5	H	0.229
6	H	0.229
7	H	0.235
8	H	0.235

	x	y	z	Total
	1.920	0.694	0.000	2.042
CHELPG
AIM
ESP

	x	y	z
x	4.376	0.020	0.000
y	0.020	3.940	0.000
z	0.000	0.000	3.837

<r²>	50.669
(<r²>)^1/2	7.118

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

using model chemistry: B1B95/6-311G*

States and conformations

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