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	hartrees
Energy at 0K	-269.592999
Energy at 298.15K	-269.599917
HF Energy	-269.048180
Nuclear repulsion energy	259.353629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3072	20.56
2	A₁	3208	3048	3.29
3	A₁	3191	3031	11.17
4	A₁	3185	3026	9.02
5	A₁	1666	1583	1.61
6	A₁	1555	1478	5.71
7	A₁	1547	1470	4.27
8	A₁	1308	1242	3.47
9	A₁	1236	1174	0.69
10	A₁	1083	1029	1.42
11	A₁	1009	959	0.00
12	A₁	856	813	0.40
13	A₁	558	530	0.43
14	A₂	971	923	0.00
15	A₂	867	824	0.00
16	A₂	494	469	0.00
17	A₂	409	389	0.00
18	B₁	956	908	2.71
19	B₁	896	851	0.81
20	B₁	752	715	106.96
21	B₁	660	627	44.79
22	B₁	556	528	0.55
23	B₁	484	460	11.69
24	B₁	211	200	1.28
25	B₂	3292	3128	10.96
26	B₂	3217	3056	41.87
27	B₂	3192	3033	3.30
28	B₂	1651	1568	1.29
29	B₂	1537	1460	8.45
30	B₂	1412	1341	0.66
31	B₂	1301	1236	0.15
32	B₂	1210	1150	0.12
33	B₂	1179	1121	3.51
34	B₂	1010	960	1.22
35	B₂	661	628	0.00
36	B₂	373	355	0.08

Atom	y (Å)	z (Å)
C1	0.000	0.990
C2	1.219	0.249
C3	1.213	-1.133
C4	0.000	-1.840
C5	-1.213	-1.133
C6	-1.219	0.249
C7	0.000	2.410
H8	2.166	0.792
H9	2.156	-1.679
H10	0.000	-2.929
H11	-2.156	-1.679
H12	-2.166	0.792
H13	0.929	2.976
H14	-0.929	2.976

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4271	2.4456	2.8305	2.4456	1.4271	1.4196	2.1746	3.4314	3.9193	3.4314	2.1746	2.1921	2.1921
C2	1.4271		1.3825	2.4190	2.7975	2.4389	2.4813	1.0910	2.1437	3.4039	3.8872	3.4284	2.7423	3.4715
C3	2.4456	1.3825		1.4035	2.4251	2.7975	3.7451	2.1487	1.0897	2.1666	3.4121	3.8885	4.1191	4.6339
C4	2.8305	2.4190	1.4035		1.4035	2.4190	4.2501	3.4087	2.1616	1.0888	2.1616	3.4087	4.9048	4.9048
C5	2.4456	2.7975	2.4251	1.4035		1.3825	3.7451	3.8885	3.4121	2.1666	1.0897	2.1487	4.6339	4.1191
C6	1.4271	2.4389	2.7975	2.4190	1.3825		2.4813	3.4284	3.8872	3.4039	2.1437	1.0910	3.4715	2.7423
C7	1.4196	2.4813	3.7451	4.2501	3.7451	2.4813		2.7031	4.6227	5.3389	4.6227	2.7031	1.0878	1.0878
H8	2.1746	1.0910	2.1487	3.4087	3.8885	3.4284	2.7031		2.4718	4.3055	4.9782	4.3312	2.5095	3.7874
H9	3.4314	2.1437	1.0897	2.1616	3.4121	3.8872	4.6227	2.4718		2.4916	4.3112	4.9782	4.8142	5.5845
H10	3.9193	3.4039	2.1666	1.0888	2.1666	3.4039	5.3389	4.3055	2.4916		2.4916	4.3055	5.9775	5.9775
H11	3.4314	3.8872	3.4121	2.1616	1.0897	2.1437	4.6227	4.9782	4.3112	2.4916		2.4718	5.5845	4.8142
H12	2.1746	3.4284	3.8885	3.4087	2.1487	1.0910	2.7031	4.3312	4.9782	4.3055	2.4718		3.7874	2.5095
H13	2.1921	2.7423	4.1191	4.9048	4.6339	3.4715	1.0878	2.5095	4.8142	5.9775	5.5845	3.7874		1.8580
H14	2.1921	3.4715	4.6339	4.9048	4.1191	2.7423	1.0878	3.7874	5.5845	5.9775	4.8142	2.5095	1.8580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.009	C1	C2	H8	118.840
C1	C6	C5	121.009	C1	C6	H12	118.840
C1	C7	H13	121.351	C1	C7	H14	121.351
C2	C1	C6	117.410	C2	C1	C7	121.295
C2	C3	C4	120.521	C2	C3	H9	119.784
C3	C2	H8	120.151	C3	C4	C5	119.531
C3	C4	H10	120.234	C4	C3	H9	119.696
C4	C5	C6	120.521	C4	C5	H11	119.696
C5	C1	C7	150.276	C5	C4	H10	120.234
C5	C6	H12	120.151	C6	C5	H11	119.784
H13	C7	H14	117.299

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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