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	hartrees
Energy at 0K	-152.332713
Energy at 298.15K	-152.337846
HF Energy	-152.332713
Nuclear repulsion energy	72.164632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3524	3112	0.46
2	A'	3350	2958	0.42
3	A'	3282	2898	3.68
4	A'	1688	1491	4.48
5	A'	1598	1411	5.53
6	A'	1565	1382	2.83
7	A'	1486	1312	8.46
8	A'	1174	1036	3.31
9	A'	1145	1011	7.31
10	A'	969	856	3.11
11	A'	412	364	1.62
12	A"	3531	3118	0.61
13	A"	3384	2988	2.86
14	A"	1681	1484	2.99
15	A"	1358	1199	1.06
16	A"	945	835	0.26
17	A"	541	478	19.64
18	A"	201	177	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.091	-0.570	0.000
C2	0.000	0.537	0.000
O3	-1.361	0.044	0.000
H4	2.090	-0.116	0.000
H5	0.996	-1.204	0.890
H6	0.996	-1.204	-0.890
H7	0.130	1.188	0.890
H8	0.130	1.188	-0.890

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5545	2.5280	1.0973	1.0966	1.0966	2.1934	2.1934
C2	1.5545		1.4475	2.1893	2.1940	2.1940	1.1109	1.1109
O3	2.5280	1.4475		3.4546	2.8113	2.8113	2.0796	2.0796
H4	1.0973	2.1893	3.4546		1.7815	1.7815	2.5172	2.5172
H5	1.0966	2.1940	2.8113	1.7815		1.7798	2.5446	3.1054
H6	1.0966	2.1940	2.8113	1.7815	1.7798		3.1054	2.5446
H7	2.1934	1.1109	2.0796	2.5172	2.5446	3.1054		1.7804
H8	2.1934	1.1109	2.0796	2.5172	3.1054	2.5446	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.676	C1	C2	H7	109.636
C1	C2	H8	109.636	C2	C1	H4	110.104
C2	C1	H5	110.516	C2	C1	H6	110.516
O3	C2	H7	108.026	O3	C2	H8	108.026
H4	C1	H5	108.582	H4	C1	H6	108.582
H5	C1	H6	108.483	H7	C2	H8	106.513

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

using model chemistry: B1B95/STO-3G

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	-0.237
2	C	-0.074
3	O	-0.102
4	H	0.079
5	H	0.081
6	H	0.081
7	H	0.087
8	H	0.087

	x	y	z	Total
	1.158	0.465	0.000	1.247
CHELPG
AIM
ESP

	x	y	z
x	2.166	0.079	0.000
y	0.079	1.722	0.000
z	0.000	0.000	1.888

<r²>	52.040
(<r²>)^1/2	7.214

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

using model chemistry: B1B95/STO-3G

States and conformations

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