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	hartrees
Energy at 0K	-270.821100
Energy at 298.15K	-270.827975
HF Energy	-270.821100
Nuclear repulsion energy	259.996844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3086	14.40
2	A₁	3202	3068	5.39
3	A₁	3187	3054	7.91
4	A₁	3176	3044	5.52
5	A₁	1624	1556	1.04
6	A₁	1517	1454	6.83
7	A₁	1499	1437	0.00
8	A₁	1296	1243	3.39
9	A₁	1191	1141	0.01
10	A₁	1047	1004	1.74
11	A₁	995	954	0.27
12	A₁	836	801	0.29
13	A₁	530	508	0.36
14	A₂	966	926	0.00
15	A₂	834	799	0.00
16	A₂	496	475	0.00
17	A₂	389	373	0.00
18	B₁	987	946	0.01
19	B₁	898	861	5.70
20	B₁	772	739	59.23
21	B₁	702	673	0.60
22	B₁	683	655	43.64
23	B₁	477	457	10.89
24	B₁	202	193	1.05
25	B₂	3278	3142	8.44
26	B₂	3207	3073	38.00
27	B₂	3189	3057	0.88
28	B₂	1602	1535	0.69
29	B₂	1486	1424	6.10
30	B₂	1372	1315	0.30
31	B₂	1345	1289	1.20
32	B₂	1179	1130	0.03
33	B₂	1123	1076	2.87
34	B₂	975	935	1.41
35	B₂	624	598	0.00
36	B₂	354	339	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.993
C2	1.216	0.252
C3	1.210	-1.132
C4	0.000	-1.837
C5	-1.210	-1.132
C6	-1.216	0.252
C7	0.000	2.399
H8	2.158	0.793
H9	2.151	-1.675
H10	0.000	-2.923
H11	-2.151	-1.675
H12	-2.158	0.793
H13	0.928	2.960
H14	-0.928	2.960

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4237	2.4454	2.8298	2.4454	1.4237	1.4064	2.1675	3.4271	3.9158	3.4271	2.1675	2.1755	2.1755
C2	1.4237		1.3842	2.4169	2.7927	2.4314	2.4676	1.0871	2.1419	3.3996	3.8794	3.4172	2.7236	3.4544
C3	2.4454	1.3842		1.4000	2.4196	2.7927	3.7330	2.1467	1.0867	2.1610	3.4047	3.8798	4.1023	4.6175
C4	2.8298	2.4169	1.4000		1.4000	2.4169	4.2362	3.4026	2.1575	1.0860	2.1575	3.4026	4.8863	4.8863
C5	2.4454	2.7927	2.4196	1.4000		1.3842	3.7330	3.8798	3.4047	2.1610	1.0867	2.1467	4.6175	4.1023
C6	1.4237	2.4314	2.7927	2.4169	1.3842		2.4676	3.4172	3.8794	3.3996	2.1419	1.0871	3.4544	2.7236
C7	1.4064	2.4676	3.7330	4.2362	3.7330	2.4676		2.6901	4.6072	5.3221	4.6072	2.6901	1.0848	1.0848
H8	2.1675	1.0871	2.1467	3.4026	3.8798	3.4172	2.6901		2.4683	4.2977	4.9665	4.3166	2.4916	3.7714
H9	3.4271	2.1419	1.0867	2.1575	3.4047	3.8794	4.6072	2.4683		2.4872	4.3028	4.9665	4.7938	5.5650
H10	3.9158	3.3996	2.1610	1.0860	2.1610	3.3996	5.3221	4.2977	2.4872		2.4872	4.2977	5.9560	5.9560
H11	3.4271	3.8794	3.4047	2.1575	1.0867	2.1419	4.6072	4.9665	4.3028	2.4872		2.4683	5.5650	4.7938
H12	2.1675	3.4172	3.8798	3.4026	2.1467	1.0871	2.6901	4.3166	4.9665	4.2977	2.4683		3.7714	2.4916
H13	2.1755	2.7236	4.1023	4.8863	4.6175	3.4544	1.0848	2.4916	4.7938	5.9560	5.5650	3.7714		1.8568
H14	2.1755	3.4544	4.6175	4.8863	4.1023	2.7236	1.0848	3.7714	5.5650	5.9560	4.7938	2.4916	1.8568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.116	C1	C2	H8	118.758
C1	C6	C5	121.116	C1	C6	H12	118.758
C1	C7	H13	121.147	C1	C7	H14	121.147
C2	C1	C6	117.277	C2	C1	C7	121.362
C2	C3	C4	120.465	C2	C3	H9	119.705
C3	C2	H8	120.125	C3	C4	C5	119.561
C3	C4	H10	120.220	C4	C3	H9	119.831
C4	C5	C6	120.465	C4	C5	H11	119.831
C5	C1	C7	150.348	C5	C4	H10	120.220
C5	C6	H12	120.125	C6	C5	H11	119.705
H13	C7	H14	117.706

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

using model chemistry: B3PW91/6-31G**

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	0.138
2	C	-0.151
3	C	-0.119
4	C	-0.126
5	C	-0.119
6	C	-0.151
7	C	-0.329
8	H	0.117
9	H	0.122
10	H	0.122
11	H	0.122
12	H	0.117
13	H	0.128
14	H	0.128

<r²>	189.931
(<r²>)^1/2	13.782

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

using model chemistry: B3PW91/6-31G**

States and conformations

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