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	hartrees
Energy at 0K	-269.645122
Energy at 298.15K	-269.651987
HF Energy	-269.047700
Nuclear repulsion energy	258.340568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3061	20.59
2	A₁	3165	3037	6.02
3	A₁	3149	3021	8.93
4	A₁	3140	3013	9.78
5	A₁	1630	1564	1.98
6	A₁	1536	1474	5.68
7	A₁	1530	1468	3.17
8	A₁	1300	1248	3.07
9	A₁	1222	1172	0.26
10	A₁	1064	1020	1.32
11	A₁	1003	962	0.00
12	A₁	843	809	0.27
13	A₁	550	528	0.32
14	A₂	951	912	0.00
15	A₂	840	806	0.00
16	A₂	508	488	0.00
17	A₂	401	384	0.00
18	B₁	932	895	2.69
19	B₁	873	838	1.06
20	B₁	732	702	113.66
21	B₁	689	661	29.26
22	B₁	580	557	0.01
23	B₁	472	453	10.88
24	B₁	203	195	1.10
25	B₂	3237	3106	13.41
26	B₂	3173	3045	46.12
27	B₂	3150	3022	2.27
28	B₂	1619	1553	1.62
29	B₂	1515	1453	6.78
30	B₂	1397	1340	0.54
31	B₂	1287	1235	0.08
32	B₂	1191	1142	0.11
33	B₂	1159	1112	2.75
34	B₂	996	955	0.87
35	B₂	651	624	0.00
36	B₂	372	357	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.997
C2	1.226	0.251
C3	1.218	-1.137
C4	0.000	-1.847
C5	-1.218	-1.137
C6	-1.226	0.251
C7	0.000	2.415
H8	2.175	0.795
H9	2.164	-1.686
H10	0.000	-2.939
H11	-2.164	-1.686
H12	-2.175	0.795
H13	0.932	2.984
H14	-0.932	2.984

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4356	2.4580	2.8445	2.4580	1.4356	1.4172	2.1846	3.4472	3.9369	3.4472	2.1846	2.1942	2.1942
C2	1.4356		1.3881	2.4298	2.8112	2.4523	2.4871	1.0943	2.1517	3.4177	3.9043	3.4448	2.7491	3.4824
C3	2.4580	1.3881		1.4100	2.4368	2.8112	3.7551	2.1567	1.0932	2.1753	3.4266	3.9055	4.1313	4.6485
C4	2.8445	2.4298	1.4100		1.4100	2.4298	4.2616	3.4226	2.1701	1.0924	2.1701	3.4226	4.9201	4.9201
C5	2.4580	2.8112	2.4368	1.4100		1.3881	3.7551	3.9055	3.4266	2.1753	1.0932	2.1567	4.6485	4.1313
C6	1.4356	2.4523	2.8112	2.4298	1.3881		2.4871	3.4448	3.9043	3.4177	2.1517	1.0943	3.4824	2.7491
C7	1.4172	2.4871	3.7551	4.2616	3.7551	2.4871		2.7117	4.6364	5.3541	4.6364	2.7117	1.0919	1.0919
H8	2.1846	1.0943	2.1567	3.4226	3.9055	3.4448	2.7117		2.4812	4.3222	4.9986	4.3505	2.5172	3.8004
H9	3.4472	2.1517	1.0932	2.1701	3.4266	3.9043	4.6364	2.4812		2.5010	4.3281	4.9986	4.8297	5.6028
H10	3.9369	3.4177	2.1753	1.0924	2.1753	3.4177	5.3541	4.3222	2.5010		2.5010	4.3222	5.9963	5.9963
H11	3.4472	3.9043	3.4266	2.1701	1.0932	2.1517	4.6364	4.9986	4.3281	2.5010		2.4812	5.6028	4.8297
H12	2.1846	3.4448	3.9055	3.4226	2.1567	1.0943	2.7117	4.3505	4.9986	4.3222	2.4812		3.8004	2.5172
H13	2.1942	2.7491	4.1313	4.9201	4.6485	3.4824	1.0919	2.5172	4.8297	5.9963	5.6028	3.8004		1.8634
H14	2.1942	3.4824	4.6485	4.9201	4.1313	2.7491	1.0919	3.8004	5.6028	5.9963	4.8297	2.5172	1.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.021	C1	C2	H8	118.808
C1	C6	C5	121.021	C1	C6	H12	118.808
C1	C7	H13	121.431	C1	C7	H14	121.431
C2	C1	C6	117.318	C2	C1	C7	121.341
C2	C3	C4	120.539	C2	C3	H9	119.791
C3	C2	H8	120.171	C3	C4	C5	119.561
C3	C4	H10	120.219	C4	C3	H9	119.670
C4	C5	C6	120.539	C4	C5	H11	119.670
C5	C1	C7	150.285	C5	C4	H10	120.219
C5	C6	H12	120.171	C6	C5	H11	119.791
H13	C7	H14	117.137

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

using model chemistry: CCD/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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All results from a given calculation for C6H5CH2 (benzyl radical)

using model chemistry: CCD/6-31G

States and conformations

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