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	hartrees
Energy at 0K	-154.388978
Energy at 298.15K	-154.393779
HF Energy	-154.388978
Nuclear repulsion energy	74.505992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3004	19.16
2	A'	3057	2932	12.00
3	A'	2920	2801	24.93
4	A'	1495	1434	5.80
5	A'	1410	1353	28.92
6	A'	1392	1335	14.47
7	A'	1338	1283	10.55
8	A'	1105	1060	12.58
9	A'	1096	1051	8.12
10	A'	901	864	0.45
11	A'	434	416	6.63
12	A"	3140	3012	17.24
13	A"	2932	2812	5.89
14	A"	1484	1423	6.25
15	A"	1244	1193	0.07
16	A"	858	823	0.01
17	A"	261	250	16.82
18	A"	69	66	13.62

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.599	0.000
C2	0.000	0.507	0.000
O3	-1.297	0.103	0.000
H4	2.047	-0.185	0.000
H5	0.924	-1.228	0.883
H6	0.924	-1.228	-0.883
H7	0.129	1.186	0.862
H8	0.129	1.186	-0.862

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5159	2.4372	1.0910	1.0895	1.0895	2.1809	2.1809
C2	1.5159		1.3583	2.1603	2.1544	2.1544	1.1054	1.1054
O3	2.4372	1.3583		3.3559	2.7356	2.7356	1.9872	1.9872
H4	1.0910	2.1603	3.3559		1.7679	1.7679	2.5107	2.5107
H5	1.0895	2.1544	2.7356	1.7679		1.7651	2.5420	3.0831
H6	1.0895	2.1544	2.7356	1.7679	1.7651		3.0831	2.5420
H7	2.1809	1.1054	1.9872	2.5107	2.5420	3.0831		1.7243
H8	2.1809	1.1054	1.9872	2.5107	3.0831	2.5420	1.7243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.882	C1	C2	H7	111.650
C1	C2	H8	111.650	C2	C1	H4	110.881
C2	C1	H5	110.493	C2	C1	H6	110.493
O3	C2	H7	107.084	O3	C2	H8	107.084
H4	C1	H5	108.345	H4	C1	H6	108.345
H5	C1	H6	108.197	H7	C2	H8	102.511

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

using model chemistry: mPW1PW91/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	-0.251
2	C	0.044
3	O	-0.220
4	H	0.074
5	H	0.092
6	H	0.092
7	H	0.085
8	H	0.085

	x	y	z	Total
	1.894	0.632	0.000	1.997
CHELPG
AIM
ESP

	x	y	z
x	4.786	-0.027	0.000
y	-0.027	4.307	0.000
z	0.000	0.000	4.106

<r²>	50.728
(<r²>)^1/2	7.122

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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