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	hartrees
Energy at 0K	-154.179468
Energy at 298.15K	-154.184293
HF Energy	-154.179468
Nuclear repulsion energy	73.818362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3056	3039	18.15
2	A'	2970	2953	12.88
3	A'	2751	2735	37.52
4	A'	1415	1407	4.12
5	A'	1338	1330	30.20
6	A'	1313	1306	14.34
7	A'	1221	1214	18.85
8	A'	1076	1070	12.70
9	A'	1052	1046	8.56
10	A'	868	863	1.65
11	A'	420	417	7.37
12	A"	3063	3046	13.14
13	A"	2750	2734	10.50
14	A"	1403	1395	6.53
15	A"	1161	1154	0.13
16	A"	811	806	0.03
17	A"	283	281	30.53
18	A"	111	111	9.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.036	-0.627	0.000
C2	0.000	0.498	0.000
O3	-1.305	0.140	0.000
H4	2.071	-0.226	0.000
H5	0.910	-1.269	0.896
H6	0.910	-1.269	-0.896
H7	0.165	1.210	0.865
H8	0.165	1.210	-0.865

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5298	2.4637	1.1100	1.1089	1.1089	2.2097	2.2097
C2	1.5298		1.3532	2.1939	2.1799	2.1799	1.1326	1.1326
O3	2.4637	1.3532		3.3958	2.7736	2.7736	2.0138	2.0138
H4	1.1100	2.1939	3.3958		1.7994	1.7994	2.5380	2.5380
H5	1.1089	2.1799	2.7736	1.7994		1.7918	2.5881	3.1303
H6	1.1089	2.1799	2.7736	1.7994	1.7918		3.1303	2.5881
H7	2.2097	1.1326	2.0138	2.5380	2.5881	3.1303		1.7304
H8	2.2097	1.1326	2.0138	2.5380	3.1303	2.5881	1.7304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	117.291	C1	C2	H7	111.313
C1	C2	H8	111.313	C2	C1	H4	111.430
C2	C1	H5	110.385	C2	C1	H6	110.385
O3	C2	H7	107.892	O3	C2	H8	107.892
H4	C1	H5	108.373	H4	C1	H6	108.373
H5	C1	H6	107.786	H7	C2	H8	99.622

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

using model chemistry: PBEPBE/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	-0.079
2	C	0.037
3	O	-0.200
4	H	0.026
5	H	0.048
6	H	0.048
7	H	0.060
8	H	0.060

	x	y	z	Total
	1.829	0.606	0.000	1.926
CHELPG
AIM
ESP

	x	y	z
x	4.709	-0.017	0.000
y	-0.017	4.147	0.000
z	0.000	0.000	3.981

<r²>	51.545
(<r²>)^1/2	7.179

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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