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	hartrees
Energy at 0K	-154.210602
Energy at 298.15K
HF Energy	-154.210602
Nuclear repulsion energy	74.214542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3029	17.62
2	A'	3059	2942	12.57
3	A'	2918	2806	28.94
4	A'	1467	1411	4.93
5	A'	1399	1346	33.99
6	A'	1368	1316	9.63
7	A'	1311	1261	11.97
8	A'	1110	1068	17.11
9	A'	1096	1054	2.75
10	A'	905	871	0.19
11	A'	430	413	6.52
12	A"	3155	3035	14.69
13	A"	2939	2827	9.03
14	A"	1454	1399	5.92
15	A"	1229	1182	0.32
16	A"	844	812	0.01
17	A"	260	250	13.11
18	A"	196i	189i	26.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.602	0.000
C2	0.000	0.507	0.000
O3	-1.299	0.105	0.000
H4	2.060	-0.191	0.000
H5	0.921	-1.238	0.890
H6	0.921	-1.238	-0.890
H7	0.133	1.195	0.869
H8	0.133	1.195	-0.869

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5185	2.4410	1.1014	1.1005	1.1005	2.1910	2.1910
C2	1.5185		1.3597	2.1749	2.1649	2.1649	1.1160	1.1160
O3	2.4410	1.3597		3.3717	2.7431	2.7431	1.9983	1.9983
H4	1.1014	2.1749	3.3717		1.7848	1.7848	2.5274	2.5274
H5	1.1005	2.1649	2.7431	1.7848		1.7799	2.5578	3.1040
H6	1.1005	2.1649	2.7431	1.7848	1.7799		3.1040	2.5578
H7	2.1910	1.1160	1.9983	2.5274	2.5578	3.1040		1.7372
H8	2.1910	1.1160	1.9983	2.5274	3.1040	2.5578	1.7372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.909	C1	C2	H7	111.627
C1	C2	H8	111.627	C2	C1	H4	111.229
C2	C1	H5	110.487	C2	C1	H6	110.487
O3	C2	H7	107.230	O3	C2	H8	107.230
H4	C1	H5	108.300	H4	C1	H6	108.300
H5	C1	H6	107.933	H7	C2	H8	102.211

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

using model chemistry: HSEh1PBE/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	-0.109
2	C	0.039
3	O	-0.211
4	H	0.038
5	H	0.056
6	H	0.056
7	H	0.066
8	H	0.066

	x	y	z	Total
	1.786	0.617	0.000	1.889
CHELPG
AIM
ESP

	x	y	z
x	4.320	-0.002	0.000
y	-0.002	3.919	0.000
z	0.000	0.000	3.843

<r²>	50.898
(<r²>)^1/2	7.134

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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