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	hartrees
Energy at 0K	-154.240065
Energy at 298.15K	-154.245040
HF Energy	-154.240065
Nuclear repulsion energy	74.145056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3046	3009	17.83
2	A'	2972	2936	11.10
3	A'	2752	2719	31.70
4	A'	1439	1422	5.47
5	A'	1348	1332	20.86
6	A'	1327	1311	26.35
7	A'	1240	1225	21.52
8	A'	1067	1054	15.09
9	A'	1060	1047	8.48
10	A'	866	855	2.43
11	A'	426	421	8.05
12	A"	3054	3017	13.53
13	A"	2742	2709	4.61
14	A"	1429	1412	7.79
15	A"	1167	1153	0.00
16	A"	823	813	0.03
17	A"	316	312	30.47
18	A"	171	169	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	1.053	-0.594	0.000
C2	0.000	0.513	0.000
O3	-1.312	0.093	0.000
H4	2.071	-0.178	0.000
H5	0.938	-1.227	0.889
H6	0.938	-1.227	-0.889
H7	0.113	1.191	0.874
H8	0.113	1.191	-0.874

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5278	2.4623	1.1002	1.0972	1.0972	2.1985	2.1985
C2	1.5278		1.3771	2.1835	2.1672	2.1672	1.1119	1.1119
O3	2.4623	1.3771		3.3937	2.7558	2.7558	1.9998	1.9998
H4	1.1002	2.1835	3.3937		1.7817	1.7817	2.5440	2.5440
H5	1.0972	2.1672	2.7558	1.7817		1.7784	2.5547	3.1039
H6	1.0972	2.1672	2.7558	1.7817	1.7784		3.1039	2.5547
H7	2.1985	1.1119	1.9998	2.5440	2.5547	3.1039		1.7473
H8	2.1985	1.1119	1.9998	2.5440	3.1039	2.5547	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.820	C1	C2	H7	111.827
C1	C2	H8	111.827	C2	C1	H4	111.337
C2	C1	H5	110.223	C2	C1	H6	110.223
O3	C2	H7	106.440	O3	C2	H8	106.440
H4	C1	H5	108.349	H4	C1	H6	108.349
H5	C1	H6	108.275	H7	C2	H8	103.582

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.210
2	C	0.033
3	O	-0.243
4	H	0.066
5	H	0.086
6	H	0.086
7	H	0.090
8	H	0.090

	x	y	z	Total
	2.073	0.642	0.000	2.170
CHELPG
AIM
ESP

	x	y	z
x	5.415	-0.035	0.000
y	-0.035	4.716	0.000
z	0.000	0.000	4.395

<r²>	51.477
(<r²>)^1/2	7.175

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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