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	hartrees
Energy at 0K	-154.334596
Energy at 298.15K	-154.339471
HF Energy	-154.334596
Nuclear repulsion energy	74.557294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3016	22.50
2	A'	3062	2940	13.29
3	A'	2916	2800	29.41
4	A'	1496	1436	6.44
5	A'	1413	1357	30.79
6	A'	1387	1331	16.53
7	A'	1338	1285	11.92
8	A'	1105	1061	16.93
9	A'	1101	1057	3.85
10	A'	903	867	0.41
11	A'	431	414	7.69
12	A"	3149	3023	20.13
13	A"	2927	2810	7.25
14	A"	1484	1425	6.99
15	A"	1240	1190	0.16
16	A"	865	830	0.00
17	A"	285	273	19.84
18	A"	94	91	11.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.035	-0.600	0.000
C2	0.000	0.507	0.000
O3	-1.294	0.104	0.000
H4	2.048	-0.194	0.000
H5	0.917	-1.229	0.882
H6	0.917	-1.229	-0.882
H7	0.129	1.189	0.862
H8	0.129	1.189	-0.862

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5161	2.4336	1.0912	1.0898	1.0898	2.1832	2.1832
C2	1.5161		1.3554	2.1651	2.1525	2.1525	1.1064	1.1064
O3	2.4336	1.3554		3.3556	2.7282	2.7282	1.9862	1.9862
H4	1.0912	2.1651	3.3556		1.7689	1.7689	2.5181	2.5181
H5	1.0898	2.1525	2.7282	1.7689		1.7643	2.5435	3.0837
H6	1.0898	2.1525	2.7282	1.7689	1.7643		3.0837	2.5435
H7	2.1832	1.1064	1.9862	2.5181	2.5435	3.0837		1.7231
H8	2.1832	1.1064	1.9862	2.5181	3.0837	2.5435	1.7231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.767	C1	C2	H7	111.760
C1	C2	H8	111.760	C2	C1	H4	111.239
C2	C1	H5	110.310	C2	C1	H6	110.310
O3	C2	H7	107.139	O3	C2	H8	107.139
H4	C1	H5	108.399	H4	C1	H6	108.399
H5	C1	H6	108.094	H7	C2	H8	102.281

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

using model chemistry: B1B95/6-311G**

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	-0.352
2	C	-0.087
3	O	-0.237
4	H	0.114
5	H	0.133
6	H	0.133
7	H	0.148
8	H	0.148

	x	y	z	Total
	1.926	0.684	0.000	2.043
CHELPG
AIM
ESP

	x	y	z
x	4.454	0.009	0.000
y	0.009	4.009	0.000
z	0.000	0.000	3.886

<r²>	50.658
(<r²>)^1/2	7.117

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

using model chemistry: B1B95/6-311G**

States and conformations

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