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	hartrees
Energy at 0K	-154.334071
Energy at 298.15K	-154.339251
HF Energy	-154.334071
Nuclear repulsion energy	74.280499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3129	15.39
2	A'	3048	3048	9.70
3	A'	2965	2965	19.98
4	A'	1496	1496	6.96
5	A'	1421	1421	32.83
6	A'	1398	1398	13.34
7	A'	1363	1363	4.13
8	A'	1105	1105	10.66
9	A'	1092	1092	10.42
10	A'	903	903	0.05
11	A'	428	428	7.08
12	A"	3131	3131	14.66
13	A"	2987	2987	5.15
14	A"	1482	1482	6.70
15	A"	1252	1252	0.14
16	A"	884	884	0.08
17	A"	435	435	17.06
18	A"	179	179	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.043	-0.588	0.000
C2	0.000	0.519	0.000
O3	-1.298	0.080	0.000
H4	2.055	-0.176	0.000
H5	0.923	-1.216	0.884
H6	0.923	-1.216	-0.884
H7	0.112	1.190	0.869
H8	0.112	1.190	-0.869

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5211	2.4345	1.0921	1.0910	1.0910	2.1869	2.1869
C2	1.5211		1.3706	2.1695	2.1551	2.1551	1.1039	1.1039
O3	2.4345	1.3706		3.3628	2.7192	2.7192	1.9947	1.9947
H4	1.0921	2.1695	3.3628		1.7726	1.7726	2.5291	2.5291
H5	1.0910	2.1551	2.7192	1.7726		1.7681	2.5388	3.0855
H6	1.0910	2.1551	2.7192	1.7726	1.7681		3.0855	2.5388
H7	2.1869	1.1039	1.9947	2.5291	2.5388	3.0855		1.7388
H8	2.1869	1.1039	1.9947	2.5291	3.0855	2.5388	1.7388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.587	C1	C2	H7	111.864
C1	C2	H8	111.864	C2	C1	H4	111.180
C2	C1	H5	110.095	C2	C1	H6	110.095
O3	C2	H7	106.945	O3	C2	H8	106.945
H4	C1	H5	108.574	H4	C1	H6	108.574
H5	C1	H6	108.250	H7	C2	H8	103.925

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

using model chemistry: M06-2X/6-311G**

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	-0.393
2	C	-0.116
3	O	-0.234
4	H	0.131
5	H	0.146
6	H	0.146
7	H	0.160
8	H	0.160

	x	y	z	Total
	1.895	0.696	0.000	2.019
CHELPG
AIM
ESP

	x	y	z
x	4.304	-0.016	0.000
y	-0.016	3.930	0.000
z	0.000	0.000	3.792

<r²>	50.892
(<r²>)^1/2	7.134

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

using model chemistry: M06-2X/6-311G**

States and conformations

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