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	hartrees
Energy at 0K	-154.379311
Energy at 298.15K	-154.384346
HF Energy	-154.379311
Nuclear repulsion energy	74.460213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3000	19.68
2	A'	3060	2927	12.68
3	A'	2922	2795	22.06
4	A'	1491	1426	6.21
5	A'	1412	1351	26.13
6	A'	1390	1329	18.63
7	A'	1338	1280	11.02
8	A'	1105	1057	7.52
9	A'	1096	1049	12.07
10	A'	901	862	0.50
11	A'	439	420	6.70
12	A"	3145	3009	17.76
13	A"	2936	2808	4.86
14	A"	1484	1420	6.86
15	A"	1239	1185	0.00
16	A"	860	823	0.06
17	A"	310	297	19.51
18	A"	166	158	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.048	-0.584	0.000
C2	0.000	0.517	0.000
O3	-1.303	0.079	0.000
H4	2.054	-0.162	0.000
H5	0.937	-1.212	0.883
H6	0.937	-1.212	-0.883
H7	0.103	1.180	0.871
H8	0.103	1.180	-0.871

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5201	2.4421	1.0912	1.0892	1.0892	2.1829	2.1829
C2	1.5201		1.3743	2.1633	2.1555	2.1555	1.0997	1.0997
O3	2.4421	1.3743		3.3652	2.7314	2.7314	1.9872	1.9872
H4	1.0912	2.1633	3.3652		1.7692	1.7692	2.5231	2.5231
H5	1.0892	2.1555	2.7314	1.7692		1.7669	2.5331	3.0813
H6	1.0892	2.1555	2.7314	1.7692	1.7669		3.0813	2.5331
H7	2.1829	1.0997	1.9872	2.5231	2.5331	3.0813		1.7420
H8	2.1829	1.0997	1.9872	2.5231	3.0813	2.5331	1.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.979	C1	C2	H7	111.858
C1	C2	H8	111.858	C2	C1	H4	110.806
C2	C1	H5	110.306	C2	C1	H6	110.306
O3	C2	H7	106.343	O3	C2	H8	106.343
H4	C1	H5	108.469	H4	C1	H6	108.469
H5	C1	H6	108.417	H7	C2	H8	104.746

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

using model chemistry: wB97X-D/aug-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	-0.842
2	C	0.056
3	O	-0.546
4	H	0.279
5	H	0.257
6	H	0.257
7	H	0.270
8	H	0.270

	x	y	z	Total
	2.017	0.654	0.000	2.120
CHELPG
AIM
ESP

	x	y	z
x	5.276	-0.026	0.000
y	-0.026	4.755	0.000
z	0.000	0.000	4.406

<r²>	50.873
(<r²>)^1/2	7.133

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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