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	hartrees
Energy at 0K	-270.043255
Energy at 298.15K	-270.050292
HF Energy	-269.150110
Nuclear repulsion energy	262.589166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3084	14.15
2	A₁	3281	3066	1.38
3	A₁	3266	3051	11.64
4	A₁	3261	3048	2.09
5	A₁	1739	1625	1.19
6	A₁	1574	1471	8.84
7	A₁	1550	1449	0.64
8	A₁	1301	1215	4.18
9	A₁	1220	1140	1.16
10	A₁	1098	1026	1.13
11	A₁	1002	937	0.01
12	A₁	869	812	0.73
13	A₁	550	514	0.64
14	A₂	1044	975	0.00
15	A₂	923	862	0.00
16	A₂	499	467	0.00
17	A₂	415	388	0.00
18	B₁	1028	960	0.81
19	B₁	963	899	1.50
20	B₁	794	741	79.48
21	B₁	659	616	34.37
22	B₁	610	570	0.91
23	B₁	499	466	10.33
24	B₁	219	204	1.21
25	B₂	3377	3155	5.61
26	B₂	3287	3071	30.45
27	B₂	3267	3053	1.48
28	B₂	1720	1607	0.68
29	B₂	1566	1464	9.24
30	B₂	1398	1306	0.58
31	B₂	1309	1223	0.29
32	B₂	1189	1111	1.53
33	B₂	1179	1102	2.72
34	B₂	1017	950	1.88
35	B₂	653	610	0.01
36	B₂	363	339	0.12

Atom	y (Å)	z (Å)
C1	0.000	0.975
C2	1.203	0.246
C3	1.196	-1.119
C4	0.000	-1.817
C5	-1.196	-1.119
C6	-1.203	0.246
C7	0.000	2.383
H8	2.140	0.786
H9	2.133	-1.659
H10	0.000	-2.897
H11	-2.133	-1.659
H12	-2.140	0.786
H13	0.923	2.939
H14	-0.923	2.939

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4065	2.4113	2.7913	2.4113	1.4065	1.4079	2.1482	3.3892	3.8714	3.3892	2.1482	2.1701	2.1701
C2	1.4065		1.3645	2.3873	2.7599	2.4054	2.4522	1.0819	2.1198	3.3646	3.8411	3.3861	2.7074	3.4311
C3	2.4113	1.3645		1.3849	2.3926	2.7599	3.7002	2.1260	1.0812	2.1429	3.3727	3.8418	4.0666	4.5778
C4	2.7913	2.3873	1.3849		1.3849	2.3873	4.1992	3.3695	2.1386	1.0802	2.1386	3.3695	4.8439	4.8439
C5	2.4113	2.7599	2.3926	1.3849		1.3645	3.7002	3.8418	3.3727	2.1429	1.0812	2.1260	4.5778	4.0666
C6	1.4065	2.4054	2.7599	2.3873	1.3645		2.4522	3.3861	3.8411	3.3646	2.1198	1.0819	3.4311	2.7074
C7	1.4079	2.4522	3.7002	4.1992	3.7002	2.4522		2.6698	4.5700	5.2793	4.5700	2.6698	1.0778	1.0778
H8	2.1482	1.0819	2.1260	3.3695	3.8418	3.3861	2.6698		2.4455	4.2595	4.9230	4.2798	2.4723	3.7438
H9	3.3892	2.1198	1.0812	2.1386	3.3727	3.8411	4.5700	2.4455		2.4658	4.2656	4.9230	4.7542	5.5209
H10	3.8714	3.3646	2.1429	1.0802	2.1429	3.3646	5.2793	4.2595	2.4658		2.4658	4.2595	5.9079	5.9079
H11	3.3892	3.8411	3.3727	2.1386	1.0812	2.1198	4.5700	4.9230	4.2656	2.4658		2.4455	5.5209	4.7542
H12	2.1482	3.3861	3.8418	3.3695	2.1260	1.0819	2.6698	4.2798	4.9230	4.2595	2.4455		3.7438	2.4723
H13	2.1701	2.7074	4.0666	4.8439	4.5778	3.4311	1.0778	2.4723	4.7542	5.9079	5.5209	3.7438		1.8468
H14	2.1701	3.4311	4.5778	4.8439	4.0666	2.7074	1.0778	3.7438	5.5209	5.9079	4.7542	2.4723	1.8468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.956	C1	C2	H8	118.798
C1	C6	C5	120.956	C1	C6	H12	118.798
C1	C7	H13	121.052	C1	C7	H14	121.052
C2	C1	C6	117.551	C2	C1	C7	121.224
C2	C3	C4	120.519	C2	C3	H9	119.717
C3	C2	H8	120.246	C3	C4	C5	119.499
C3	C4	H10	120.250	C4	C3	H9	119.764
C4	C5	C6	120.519	C4	C5	H11	119.764
C5	C1	C7	150.255	C5	C4	H10	120.250
C5	C6	H12	120.246	C6	C5	H11	119.717
H13	C7	H14	117.897

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)