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	hartrees
Energy at 0K	-153.472690
Energy at 298.15K
HF Energy	-153.472690
Nuclear repulsion energy	74.181987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	2802	38.14
2	A'	3182	2738	12.89
3	A'	3156	2716	39.44
4	A'	1596	1374	4.03
5	A'	1551	1335	16.64
6	A'	1528	1315	11.58
7	A'	1491	1283	6.58
8	A'	1188	1022	8.49
9	A'	1160	998	35.24
10	A'	959	825	2.96
11	A'	454	390	6.18
12	A"	3266	2811	42.97
13	A"	3194	2749	18.86
14	A"	1579	1359	2.98
15	A"	1358	1169	0.65
16	A"	923	794	0.03
17	A"	291	251	9.38
18	A"	30i	26i	13.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.047	-0.572	0.000
C2	0.000	0.529	0.000
O3	-1.302	0.056	0.000
H4	2.053	-0.146	0.000
H5	0.939	-1.203	0.884
H6	0.939	-1.203	-0.884
H7	0.101	1.179	0.876
H8	0.101	1.179	-0.876

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5185	2.4306	1.0928	1.0918	1.0918	2.1742	2.1742
C2	1.5185		1.3846	2.1614	2.1593	2.1593	1.0958	1.0958
O3	2.4306	1.3846		3.3609	2.7182	2.7182	1.9986	1.9986
H4	1.0928	2.1614	3.3609		1.7718	1.7718	2.5173	2.5173
H5	1.0918	2.1593	2.7182	1.7718		1.7682	2.5255	3.0783
H6	1.0918	2.1593	2.7182	1.7718	1.7682		3.0783	2.5255
H7	2.1742	1.0958	1.9986	2.5173	2.5255	3.0783		1.7521
H8	2.1742	1.0958	1.9986	2.5173	3.0783	2.5255	1.7521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.625	C1	C2	H7	111.519
C1	C2	H8	111.519	C2	C1	H4	110.669
C2	C1	H5	110.566	C2	C1	H6	110.566
O3	C2	H7	106.791	O3	C2	H8	106.791
H4	C1	H5	108.400	H4	C1	H6	108.400
H5	C1	H6	108.155	H7	C2	H8	106.153

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

using model chemistry: ROHF/cc-pVDZ

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	-0.072
2	C	0.138
3	O	-0.266
4	H	0.027
5	H	0.041
6	H	0.041
7	H	0.045
8	H	0.045

	x	y	z	Total
	1.796	0.637	0.000	1.906
CHELPG
AIM
ESP

<r²>	50.866
(<r²>)^1/2	7.132

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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