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	hartrees
Energy at 0K	-153.530767
Energy at 298.15K
HF Energy	-153.530767
Nuclear repulsion energy	74.425541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3222	40.58
2	A'	3162	3162	14.84
3	A'	3136	3136	31.66
4	A'	1614	1614	4.47
5	A'	1568	1568	9.41
6	A'	1542	1542	14.74
7	A'	1507	1507	6.52
8	A'	1194	1194	7.19
9	A'	1149	1149	35.81
10	A'	954	954	2.29
11	A'	457	457	5.87
12	A"	3233	3233	47.40
13	A"	3162	3162	14.71
14	A"	1600	1600	3.32
15	A"	1368	1368	0.36
16	A"	922	922	0.00
17	A"	263	263	3.26
18	A"	205i	205i	16.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.046	-0.572	0.000
C2	0.000	0.527	0.000
O3	-1.300	0.058	0.000
H4	2.043	-0.147	0.000
H5	0.941	-1.198	0.877
H6	0.941	-1.198	-0.877
H7	0.101	1.171	0.870
H8	0.101	1.171	-0.870

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5171	2.4288	1.0839	1.0826	1.0826	2.1652	2.1652
C2	1.5171		1.3821	2.1509	2.1520	2.1520	1.0870	1.0870
O3	2.4288	1.3821		3.3489	2.7148	2.7148	1.9898	1.9898
H4	1.0839	2.1509	3.3489		1.7570	1.7570	2.5026	2.5026
H5	1.0826	2.1520	2.7148	1.7570		1.7547	2.5136	3.0611
H6	1.0826	2.1520	2.7148	1.7570	1.7547		3.0611	2.5136
H7	2.1652	1.0870	1.9898	2.5026	2.5136	3.0611		1.7396
H8	2.1652	1.0870	1.9898	2.5026	3.0611	2.5136	1.7396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.724	C1	C2	H7	111.421
C1	C2	H8	111.421	C2	C1	H4	110.459
C2	C1	H5	110.630	C2	C1	H6	110.630
O3	C2	H7	106.777	O3	C2	H8	106.777
H4	C1	H5	108.384	H4	C1	H6	108.384
H5	C1	H6	108.275	H7	C2	H8	106.288

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

using model chemistry: ROHF/cc-pVQZ

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	-0.200
2	C	0.132
3	O	-0.270
4	H	0.055
5	H	0.075
6	H	0.075
7	H	0.066
8	H	0.066

	x	y	z	Total
	1.842	0.624	0.000	1.944
CHELPG
AIM
ESP

<r²>	50.711
(<r²>)^1/2	7.121

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

using model chemistry: ROHF/cc-pVQZ

States and conformations

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