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	hartrees
Energy at 0K	-154.252914
Energy at 298.15K	-154.258123
HF Energy	-154.252914
Nuclear repulsion energy	73.633760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3023	21.36
2	A'	3082	2939	13.13
3	A'	2985	2847	25.62
4	A'	1544	1473	9.68
5	A'	1461	1393	12.33
6	A'	1460	1392	24.52
7	A'	1384	1320	3.93
8	A'	1136	1084	9.29
9	A'	1079	1029	12.59
10	A'	900	858	0.22
11	A'	423	404	8.02
12	A"	3180	3033	19.91
13	A"	3013	2874	5.51
14	A"	1536	1465	7.34
15	A"	1280	1221	0.31
16	A"	922	879	0.26
17	A"	416	397	28.95
18	A"	208	199	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.065	-0.556	0.000
C2	0.000	0.523	0.000
O3	-1.322	0.039	0.000
H4	2.066	-0.117	0.000
H5	0.967	-1.190	0.884
H6	0.967	-1.190	-0.884
H7	0.094	1.193	0.872
H8	0.094	1.193	-0.872

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5163	2.4596	1.0930	1.0917	1.0917	2.1820	2.1820
C2	1.5163		1.4079	2.1625	2.1566	2.1566	1.1028	1.1028
O3	2.4596	1.4079		3.3910	2.7441	2.7441	2.0235	2.0235
H4	1.0930	2.1625	3.3910		1.7713	1.7713	2.5226	2.5226
H5	1.0917	2.1566	2.7441	1.7713		1.7676	2.5375	3.0854
H6	1.0917	2.1566	2.7441	1.7713	1.7676		3.0854	2.5375
H7	2.1820	1.1028	2.0235	2.5226	2.5375	3.0854		1.7431
H8	2.1820	1.1028	2.0235	2.5226	3.0854	2.5375	1.7431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.466	C1	C2	H7	111.871
C1	C2	H8	111.871	C2	C1	H4	110.911
C2	C1	H5	110.516	C2	C1	H6	110.516
O3	C2	H7	106.772	O3	C2	H8	106.772
H4	C1	H5	108.350	H4	C1	H6	108.350
H5	C1	H6	108.108	H7	C2	H8	104.421

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

using model chemistry: B1B95/6-31G

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	-0.464
2	C	-0.118
3	O	-0.315
4	H	0.153
5	H	0.175
6	H	0.175
7	H	0.197
8	H	0.197

	x	y	z	Total
	2.167	0.813	0.000	2.314
CHELPG
AIM
ESP

	x	y	z
x	4.038	0.134	0.000
y	0.134	3.469	0.000
z	0.000	0.000	3.555

<r²>	51.402
(<r²>)^1/2	7.169

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

using model chemistry: B1B95/6-31G

States and conformations

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