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	hartrees
Energy at 0K	-154.339156
Energy at 298.15K
HF Energy	-154.339156
Nuclear repulsion energy	74.219061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3023	17.84
2	A'	3065	2937	12.85
3	A'	2929	2807	28.56
4	A'	1474	1412	4.96
5	A'	1405	1346	32.89
6	A'	1375	1317	10.16
7	A'	1319	1264	11.45
8	A'	1110	1064	17.75
9	A'	1098	1053	2.55
10	A'	907	869	0.20
11	A'	431	413	6.46
12	A"	3161	3029	15.14
13	A"	2951	2828	8.95
14	A"	1461	1400	5.84
15	A"	1234	1183	0.29
16	A"	851	816	0.02
17	A"	267	256	16.00
18	A"	119i	114i	19.83

Atom	x (Å)	y (Å)	z (Å)
C1	1.038	-0.601	0.000
C2	0.000	0.508	0.000
O3	-1.299	0.104	0.000
H4	2.059	-0.190	0.000
H5	0.922	-1.237	0.889
H6	0.922	-1.237	-0.889
H7	0.132	1.194	0.868
H8	0.132	1.194	-0.868

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5190	2.4417	1.1002	1.0993	1.0993	2.1902	2.1902
C2	1.5190		1.3606	2.1738	2.1646	2.1646	1.1144	1.1144
O3	2.4417	1.3606		3.3710	2.7433	2.7433	1.9973	1.9973
H4	1.1002	2.1738	3.3710		1.7828	1.7828	2.5263	2.5263
H5	1.0993	2.1646	2.7433	1.7828		1.7782	2.5563	3.1020
H6	1.0993	2.1646	2.7433	1.7828	1.7782		3.1020	2.5563
H7	2.1902	1.1144	1.9973	2.5263	2.5563	3.1020		1.7365
H8	2.1902	1.1144	1.9973	2.5263	3.1020	2.5563	1.7365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.869	C1	C2	H7	111.629
C1	C2	H8	111.629	C2	C1	H4	111.181
C2	C1	H5	110.504	C2	C1	H6	110.504
O3	C2	H7	107.185	O3	C2	H8	107.185
H4	C1	H5	108.296	H4	C1	H6	108.296
H5	C1	H6	107.955	H7	C2	H8	102.356

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

using model chemistry: mPW1PW91/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	0.042
3	O	-0.216
4	H	0.038
5	H	0.056
6	H	0.056
7	H	0.066
8	H	0.066

	x	y	z	Total
	1.797	0.619	0.000	1.901
CHELPG
AIM
ESP

	x	y	z
x	4.289	-0.004	0.000
y	-0.004	3.883	0.000
z	0.000	0.000	3.797

<r²>	50.863
(<r²>)^1/2	7.132

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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