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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	3012	17.93
2	A'	3064	2940	10.70
3	A'	2964	2844	25.06
4	A'	1557	1493	9.14
5	A'	1473	1413	16.18
6	A'	1450	1391	15.86
7	A'	1361	1306	2.46
8	A'	1115	1070	6.49
9	A'	1020	979	17.16
10	A'	863	828	0.30
11	A'	394	378	5.99
12	A"	3148	3020	16.83
13	A"	2987	2866	6.83
14	A"	1548	1485	6.26
15	A"	1287	1235	1.37
16	A"	907	871	0.29
17	A"	252	242	11.07
18	A"	304i	291i	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)