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	hartrees
Energy at 0K	-154.178311
Energy at 298.15K	-154.183106
HF Energy	-154.178311
Nuclear repulsion energy	73.882282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3070	3028	19.41
2	A'	2987	2946	11.83
3	A'	2777	2739	34.53
4	A'	1459	1439	4.75
5	A'	1367	1348	24.27
6	A'	1343	1324	17.47
7	A'	1262	1244	15.88
8	A'	1085	1071	6.31
9	A'	1068	1054	13.40
10	A'	873	861	2.54
11	A'	421	415	7.74
12	A"	3080	3037	15.47
13	A"	2781	2743	9.29
14	A"	1450	1430	5.57
15	A"	1182	1166	0.22
16	A"	825	813	0.04
17	A"	264	260	26.17
18	A"	102	101	19.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.039	-0.621	0.000
C2	0.000	0.503	0.000
O3	-1.306	0.129	0.000
H4	2.066	-0.218	0.000
H5	0.915	-1.257	0.891
H6	0.915	-1.257	-0.891
H7	0.158	1.205	0.864
H8	0.158	1.205	-0.864

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5309	2.4628	1.1029	1.1015	1.1015	2.2039	2.2039
C2	1.5309		1.3584	2.1880	2.1743	2.1743	1.1244	1.1244
O3	2.4628	1.3584		3.3900	2.7660	2.7660	2.0117	2.0117
H4	1.1029	2.1880	3.3900		1.7881	1.7881	2.5318	2.5318
H5	1.1015	2.1743	2.7660	1.7881		1.7820	2.5755	3.1165
H6	1.1015	2.1743	2.7660	1.7881	1.7820		3.1165	2.5755
H7	2.2039	1.1244	2.0117	2.5318	2.5755	3.1165		1.7280
H8	2.2039	1.1244	2.0117	2.5318	3.1165	2.5755	1.7280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	116.821	C1	C2	H7	111.275
C1	C2	H8	111.275	C2	C1	H4	111.314
C2	C1	H5	110.311	C2	C1	H6	110.311
O3	C2	H7	107.864	O3	C2	H8	107.864
H4	C1	H5	108.416	H4	C1	H6	108.416
H5	C1	H6	107.977	H7	C2	H8	100.417

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

using model chemistry: PBEPBE/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	-0.379
2	C	-0.008
3	O	-0.303
4	H	0.115
5	H	0.140
6	H	0.140
7	H	0.148
8	H	0.148

	x	y	z	Total
	1.924	0.619	0.000	2.021
CHELPG
AIM
ESP

	x	y	z
x	4.531	0.042	0.000
y	0.042	3.906	0.000
z	0.000	0.000	3.852

<r²>	51.367
(<r²>)^1/2	7.167

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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