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	hartrees
Energy at 0K	-153.503002
Energy at 298.15K	-153.508142
HF Energy	-153.503002
Nuclear repulsion energy	74.010817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3091	3028	13.80
2	A'	2995	2934	7.30
3	A'	2776	2719	33.68
4	A'	1473	1444	11.06
5	A'	1390	1362	27.83
6	A'	1364	1337	31.21
7	A'	1277	1251	14.54
8	A'	1120	1097	23.10
9	A'	1100	1078	2.01
10	A'	900	882	2.71
11	A'	425	417	11.03
12	A"	3096	3033	9.04
13	A"	2778	2722	3.25
14	A"	1463	1433	12.81
15	A"	1188	1164	0.45
16	A"	863	846	0.06
17	A"	402	394	48.02
18	A"	196	192	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.043	-0.589	0.000
C2	0.000	0.499	0.000
O3	-1.309	0.094	0.000
H4	2.064	-0.169	0.000
H5	0.931	-1.230	0.891
H6	0.931	-1.230	-0.891
H7	0.144	1.208	0.864
H8	0.144	1.208	-0.864

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5068	2.4490	1.1040	1.1034	1.1034	2.1873	2.1873
C2	1.5068		1.3701	2.1692	2.1558	2.1558	1.1273	1.1273
O3	2.4490	1.3701		3.3832	2.7499	2.7499	2.0248	2.0248
H4	1.1040	2.1692	3.3832		1.7900	1.7900	2.5157	2.5157
H5	1.1034	2.1558	2.7499	1.7900		1.7824	2.5618	3.1053
H6	1.1034	2.1558	2.7499	1.7900	1.7824		3.1053	2.5618
H7	2.1873	1.1273	2.0248	2.5157	2.5618	3.1053		1.7280
H8	2.1873	1.1273	2.0248	2.5157	3.1053	2.5618	1.7280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.620	C1	C2	H7	111.460
C1	C2	H8	111.460	C2	C1	H4	111.442
C2	C1	H5	110.407	C2	C1	H6	110.407
O3	C2	H7	107.945	O3	C2	H8	107.945
H4	C1	H5	108.366	H4	C1	H6	108.366
H5	C1	H6	107.741	H7	C2	H8	100.065

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

using model chemistry: LSDA/6-31G

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	-0.501
2	C	-0.170
3	O	-0.303
4	H	0.161
5	H	0.191
6	H	0.191
7	H	0.215
8	H	0.215

	x	y	z	Total
	2.360	0.805	0.000	2.494
CHELPG
AIM
ESP

	x	y	z
x	4.484	0.142	0.000
y	0.142	3.709	0.000
z	0.000	0.000	3.751

<r²>	51.194
(<r²>)^1/2	7.155

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

using model chemistry: LSDA/6-31G

States and conformations

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