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	hartrees
Energy at 0K	-154.370792
Energy at 298.15K	-154.375667
HF Energy	-154.370792
Nuclear repulsion energy	73.818402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3018	3009	24.13
2	A'	2958	2950	14.86
3	A'	2752	2744	33.34
4	A'	1458	1454	4.90
5	A'	1365	1361	10.01
6	A'	1339	1335	31.27
7	A'	1266	1262	17.37
8	A'	1063	1060	5.26
9	A'	1033	1030	18.79
10	A'	850	847	2.30
11	A'	424	423	7.57
12	A"	3029	3020	19.66
13	A"	2733	2724	6.68
14	A"	1449	1444	6.15
15	A"	1184	1180	0.02
16	A"	835	832	0.15
17	A"	273	272	27.93
18	A"	137	136	6.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.045	-0.621	0.000
C2	0.000	0.503	0.000
O3	-1.311	0.127	0.000
H4	2.063	-0.208	0.000
H5	0.926	-1.253	0.888
H6	0.926	-1.253	-0.888
H7	0.150	1.201	0.862
H8	0.150	1.201	-0.862

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5348	2.4715	1.0985	1.0964	1.0964	2.2055	2.2055
C2	1.5348		1.3634	2.1821	2.1748	2.1748	1.1192	1.1192
O3	2.4715	1.3634		3.3901	2.7742	2.7742	2.0071	2.0071
H4	1.0985	2.1821	3.3901		1.7811	1.7811	2.5277	2.5277
H5	1.0964	2.1748	2.7742	1.7811		1.7763	2.5738	3.1125
H6	1.0964	2.1748	2.7742	1.7811	1.7763		3.1125	2.5738
H7	2.2055	1.1192	2.0071	2.5277	2.5738	3.1125		1.7242
H8	2.2055	1.1192	2.0071	2.5277	3.1125	2.5738	1.7242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.905	C1	C2	H7	111.443
C1	C2	H8	111.443	C2	C1	H4	110.835
C2	C1	H5	110.383	C2	C1	H6	110.383
O3	C2	H7	107.490	O3	C2	H8	107.490
H4	C1	H5	108.479	H4	C1	H6	108.479
H5	C1	H6	108.205	H7	C2	H8	100.756

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

using model chemistry: BLYP/cc-pVTZ

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	-0.259
2	C	0.048
3	O	-0.237
4	H	0.074
5	H	0.096
6	H	0.096
7	H	0.091
8	H	0.091

	x	y	z	Total
	1.989	0.649	0.000	2.092
CHELPG
AIM
ESP

	x	y	z
x	5.260	-0.044	0.000
y	-0.044	4.609	0.000
z	0.000	0.000	4.340

<r²>	51.889
(<r²>)^1/2	7.203

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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