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	hartrees
Energy at 0K	-269.152853
Energy at 298.15K	-269.159935
HF Energy	-269.152853
Nuclear repulsion energy	259.732953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3368	3040	20.78
2	A₁	3348	3022	16.76
3	A₁	3334	3009	5.92
4	A₁	3309	2987	12.20
5	A₁	1653	1492	0.31
6	A₁	1625	1467	2.72
7	A₁	1604	1448	3.12
8	A₁	1344	1213	0.89
9	A₁	1243	1122	0.06
10	A₁	1074	969	0.54
11	A₁	1034	933	0.00
12	A₁	851	768	0.02
13	A₁	554	500	0.23
14	A₂	994	897	0.00
15	A₂	848	765	0.00
16	A₂	540	487	0.00
17	A₂	394	356	0.00
18	B₁	1012	914	0.00
19	B₁	914	825	5.42
20	B₁	780	704	76.13
21	B₁	727	656	2.88
22	B₁	684	617	34.83
23	B₁	488	440	9.93
24	B₁	206	186	0.93
25	B₂	3406	3074	15.40
26	B₂	3356	3029	55.41
27	B₂	3336	3011	1.23
28	B₂	1647	1487	1.66
29	B₂	1560	1408	3.44
30	B₂	1449	1308	0.56
31	B₂	1415	1278	0.08
32	B₂	1237	1117	0.01
33	B₂	1161	1048	0.71
34	B₂	1033	932	0.76
35	B₂	652	589	0.01
36	B₂	384	347	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.996
C2	1.221	0.255
C3	1.214	-1.135
C4	0.000	-1.841
C5	-1.214	-1.135
C6	-1.221	0.255
C7	0.000	2.401
H8	2.155	0.789
H9	2.146	-1.673
H10	0.000	-2.916
H11	-2.146	-1.673
H12	-2.155	0.789
H13	0.919	2.958
H14	-0.919	2.958

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4281	2.4531	2.8371	2.4531	1.4281	1.4045	2.1650	3.4251	3.9124	3.4251	2.1650	2.1661	2.1661
C2	1.4281		1.3902	2.4252	2.8037	2.4411	2.4687	1.0761	2.1387	3.3978	3.8794	3.4175	2.7196	3.4473
C3	2.4531	1.3902		1.4043	2.4285	2.8037	3.7388	2.1417	1.0757	2.1554	3.4027	3.8799	4.1036	4.6157
C4	2.8371	2.4252	1.4043		1.4043	2.4252	4.2416	3.3997	2.1522	1.0753	2.1522	3.3997	4.8858	4.8858
C5	2.4531	2.8037	2.4285	1.4043		1.3902	3.7388	3.8799	3.4027	2.1554	1.0757	2.1417	4.6157	4.1036
C6	1.4281	2.4411	2.8037	2.4252	1.3902		2.4687	3.4175	3.8794	3.3978	2.1387	1.0761	3.4473	2.7196
C7	1.4045	2.4687	3.7388	4.2416	3.7388	2.4687		2.6912	4.6047	5.3169	4.6047	2.6912	1.0748	1.0748
H8	2.1650	1.0761	2.1417	3.3997	3.8799	3.4175	2.6912		2.4621	4.2860	4.9556	4.3100	2.4963	3.7624
H9	3.4251	2.1387	1.0757	2.1522	3.4027	3.8794	4.6047	2.4621		2.4796	4.2914	4.9556	4.7907	5.5534
H10	3.9124	3.3978	2.1554	1.0753	2.1554	3.3978	5.3169	4.2860	2.4796		2.4796	4.2860	5.9453	5.9453
H11	3.4251	3.8794	3.4027	2.1522	1.0757	2.1387	4.6047	4.9556	4.2914	2.4796		2.4621	5.5534	4.7907
H12	2.1650	3.4175	3.8799	3.3997	2.1417	1.0761	2.6912	4.3100	4.9556	4.2860	2.4621		3.7624	2.4963
H13	2.1661	2.7196	4.1036	4.8858	4.6157	3.4473	1.0748	2.4963	4.7907	5.9453	5.5534	3.7624		1.8385
H14	2.1661	3.4473	4.6157	4.8858	4.1036	2.7196	1.0748	3.7624	5.5534	5.9453	4.7907	2.4963	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.014	C1	C2	H8	118.987
C1	C6	C5	121.014	C1	C6	H12	118.987
C1	C7	H13	121.209	C1	C7	H14	121.209
C2	C1	C6	117.450	C2	C1	C7	121.275
C2	C3	C4	120.419	C2	C3	H9	119.755
C3	C2	H8	119.999	C3	C4	C5	119.684
C3	C4	H10	120.158	C4	C3	H9	119.827
C4	C5	C6	120.419	C4	C5	H11	119.827
C5	C1	C7	150.332	C5	C4	H10	120.158
C5	C6	H12	119.999	C6	C5	H11	119.755
H13	C7	H14	117.581

All results from a given calculation for C₆H₅CH₂ (benzyl radical)

using model chemistry: HF/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	0.021
2	C	-0.146
3	C	-0.144
4	C	-0.151
5	C	-0.144
6	C	-0.146
7	C	-0.281
8	H	0.145
9	H	0.147
10	H	0.147
11	H	0.147
12	H	0.145
13	H	0.130
14	H	0.130

<r²>	190.765
(<r²>)^1/2	13.812

All results from a given calculation for C6H5CH2 (benzyl radical)

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

States and conformations

All results from a given calculation for C₆H₅CH₂ (benzyl radical)