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	hartrees
Energy at 0K	-154.353146
Energy at 298.15K	-154.357946
HF Energy	-154.353146
Nuclear repulsion energy	74.219423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3016	19.52
2	A'	3062	2934	12.89
3	A'	2932	2810	23.57
4	A'	1470	1408	5.38
5	A'	1399	1341	31.74
6	A'	1369	1312	12.83
7	A'	1314	1259	12.48
8	A'	1106	1060	18.35
9	A'	1090	1045	0.62
10	A'	903	865	0.27
11	A'	434	416	6.67
12	A"	3157	3026	17.50
13	A"	2950	2827	5.06
14	A"	1460	1399	6.57
15	A"	1231	1179	0.01
16	A"	848	813	0.04
17	A"	258	247	14.18
18	A"	75	72	11.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.042	-0.598	0.000
C2	0.000	0.507	0.000
O3	-1.302	0.100	0.000
H4	2.054	-0.173	0.000
H5	0.932	-1.230	0.889
H6	0.932	-1.230	-0.889
H7	0.122	1.191	0.868
H8	0.122	1.191	-0.868

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5182	2.4449	1.0982	1.0966	1.0966	2.1910	2.1910
C2	1.5182		1.3637	2.1638	2.1623	2.1623	1.1120	1.1120
O3	2.4449	1.3637		3.3670	2.7471	2.7471	1.9926	1.9926
H4	1.0982	2.1638	3.3670		1.7802	1.7802	2.5197	2.5197
H5	1.0966	2.1623	2.7471	1.7802		1.7781	2.5537	3.0994
H6	1.0966	2.1623	2.7471	1.7802	1.7781		3.0994	2.5537
H7	2.1910	1.1120	1.9926	2.5197	2.5537	3.0994		1.7351
H8	2.1910	1.1120	1.9926	2.5197	3.0994	2.5537	1.7351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.961	C1	C2	H7	111.895
C1	C2	H8	111.895	C2	C1	H4	110.555
C2	C1	H5	110.533	C2	C1	H6	110.533
O3	C2	H7	106.755	O3	C2	H8	106.755
H4	C1	H5	108.405	H4	C1	H6	108.405
H5	C1	H6	108.335	H7	C2	H8	102.561

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

using model chemistry: mPW1PW91/aug-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	0.354
2	C	0.700
3	O	-0.484
4	H	-0.070
5	H	-0.085
6	H	-0.085
7	H	-0.165
8	H	-0.165

	x	y	z	Total
	2.016	0.653	0.000	2.119
CHELPG
AIM
ESP

	x	y	z
x	5.317	-0.029	0.000
y	-0.029	4.750	0.000
z	0.000	0.000	4.407

<r²>	51.156
(<r²>)^1/2	7.152

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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