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	hartrees
Energy at 0K	-152.350832
Energy at 298.15K	-152.355799
HF Energy	-152.350832
Nuclear repulsion energy	71.922276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3506	3102	0.73
2	A'	3332	2949	0.59
3	A'	3264	2888	4.25
4	A'	1687	1493	4.35
5	A'	1595	1412	5.34
6	A'	1561	1382	2.62
7	A'	1482	1311	8.88
8	A'	1170	1035	3.81
9	A'	1132	1002	7.67
10	A'	962	851	2.96
11	A'	412	365	1.51
12	A"	3512	3108	1.00
13	A"	3363	2976	5.82
14	A"	1679	1486	2.86
15	A"	1352	1196	1.69
16	A"	919	813	0.14
17	A"	377	334	33.49
18	A"	190	168	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	1.095	-0.573	0.000
C2	0.000	0.539	0.000
O3	-1.366	0.044	0.000
H4	2.096	-0.117	0.000
H5	1.000	-1.208	0.892
H6	1.000	-1.208	-0.892
H7	0.130	1.191	0.893
H8	0.130	1.191	-0.893

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5608	2.5377	1.0998	1.0991	1.0991	2.2004	2.2004
C2	1.5608		1.4529	2.1964	2.2016	2.2016	1.1134	1.1134
O3	2.5377	1.4529		3.4660	2.8217	2.8217	2.0858	2.0858
H4	1.0998	2.1964	3.4660		1.7855	1.7855	2.5249	2.5249
H5	1.0991	2.2016	2.8217	1.7855		1.7840	2.5521	3.1144
H6	1.0991	2.2016	2.8217	1.7855	1.7840		3.1144	2.5521
H7	2.2004	1.1134	2.0858	2.5249	2.5521	3.1144		1.7859
H8	2.2004	1.1134	2.0858	2.5249	3.1144	2.5521	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.671	C1	C2	H7	109.601
C1	C2	H8	109.601	C2	C1	H4	110.077
C2	C1	H5	110.525	C2	C1	H6	110.525
O3	C2	H7	108.005	O3	C2	H8	108.005
H4	C1	H5	108.579	H4	C1	H6	108.579
H5	C1	H6	108.496	H7	C2	H8	106.643

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

using model chemistry: B3PW91/STO-3G

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	-0.239
2	C	-0.079
3	O	-0.097
4	H	0.080
5	H	0.081
6	H	0.081
7	H	0.087
8	H	0.087

	x	y	z	Total
	1.139	0.458	0.000	1.228
CHELPG
AIM
ESP

	x	y	z
x	2.181	0.074	0.000
y	0.074	1.724	0.000
z	0.000	0.000	1.941

<r²>	52.318
(<r²>)^1/2	7.233

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

using model chemistry: B3PW91/STO-3G

States and conformations

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