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	hartrees
Energy at 0K	-153.468775
Energy at 298.15K
HF Energy	-153.468775
Nuclear repulsion energy	73.030031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3017	17.93
2	A'	3064	2946	10.70
3	A'	2964	2849	25.06
4	A'	1557	1496	9.14
5	A'	1473	1415	16.18
6	A'	1450	1394	15.86
7	A'	1361	1309	2.46
8	A'	1115	1072	6.49
9	A'	1020	981	17.16
10	A'	863	829	0.30
11	A'	394	378	5.99
12	A"	3148	3026	16.83
13	A"	2987	2871	6.83
14	A"	1548	1487	6.26
15	A"	1287	1237	1.37
16	A"	907	872	0.29
17	A"	252	243	11.07
18	A"	304i	292i	47.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.076	-0.558	0.000
C2	0.000	0.531	0.000
O3	-1.336	0.033	0.000
H4	2.078	-0.112	0.000
H5	0.972	-1.190	0.888
H6	0.972	-1.190	-0.888
H7	0.105	1.194	0.878
H8	0.105	1.194	-0.878

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5310	2.4840	1.0961	1.0950	1.0950	2.1873	2.1873
C2	1.5310		1.4259	2.1745	2.1667	2.1667	1.1054	1.1054
O3	2.4840	1.4259		3.4168	2.7591	2.7591	2.0487	2.0487
H4	1.0961	2.1745	3.4168		1.7817	1.7817	2.5230	2.5230
H5	1.0950	2.1667	2.7591	1.7817		1.7760	2.5371	3.0911
H6	1.0950	2.1667	2.7591	1.7817	1.7760		3.0911	2.5371
H7	2.1873	1.1054	2.0487	2.5230	2.5371	3.0911		1.7555
H8	2.1873	1.1054	2.0487	2.5230	3.0911	2.5371	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.252	C1	C2	H7	111.096
C1	C2	H8	111.096	C2	C1	H4	110.642
C2	C1	H5	110.085	C2	C1	H6	110.085
O3	C2	H7	107.386	O3	C2	H8	107.386
H4	C1	H5	108.801	H4	C1	H6	108.801
H5	C1	H6	108.376	H7	C2	H8	105.125

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

using model chemistry: B3PW91/3-21G

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	-0.646
2	C	-0.211
3	O	-0.291
4	H	0.205
5	H	0.228
6	H	0.228
7	H	0.243
8	H	0.243

	x	y	z	Total
	1.866	0.750	0.000	2.011
CHELPG
AIM
ESP

	x	y	z
x	3.801	0.076	0.000
y	0.076	3.309	0.000
z	0.000	0.000	3.483

<r²>	51.907
(<r²>)^1/2	7.205

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

using model chemistry: B3PW91/3-21G

States and conformations

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