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	hartrees
Energy at 0K	-270.113099
Energy at 298.15K	-270.119874
HF Energy	-269.159260
Nuclear repulsion energy	261.396406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3083	12.81
2	A₁	3289	3064	2.74
3	A₁	3274	3050	6.53
4	A₁	3260	3037	7.00
5	A₁	1693	1577	1.24
6	A₁	1562	1456	6.53
7	A₁	1550	1444	1.12
8	A₁	1305	1216	3.08
9	A₁	1218	1134	0.28
10	A₁	1084	1010	2.43
11	A₁	1004	936	0.09
12	A₁	861	802	0.46
13	A₁	547	510	0.44
14	A₂	1014	945	0.00
15	A₂	888	827	0.00
16	A₂	501	467	0.00
17	A₂	400	372	0.00
18	B₁	981	914	1.47
19	B₁	928	865	1.39
20	B₁	763	711	117.03
21	B₁	667	621	42.27
22	B₁	460	429	7.94
23	B₁	418	389	5.01
24	B₁	194	181	2.04
25	B₂	3366	3136	6.77
26	B₂	3295	3070	30.93
27	B₂	3276	3052	1.12
28	B₂	1680	1565	0.56
29	B₂	1547	1441	5.11
30	B₂	1399	1303	0.42
31	B₂	1306	1217	0.09
32	B₂	1176	1096	0.99
33	B₂	1169	1089	3.35
34	B₂	1010	941	2.43
35	B₂	647	603	0.01
36	B₂	364	339	0.08

Atom	y (Å)	z (Å)
C1	0.000	0.982
C2	1.211	0.248
C3	1.203	-1.122
C4	0.000	-1.822
C5	-1.203	-1.122
C6	-1.211	0.248
C7	0.000	2.384
H8	2.149	0.785
H9	2.139	-1.662
H10	0.000	-2.901
H11	-2.139	-1.662
H12	-2.149	0.785
H13	0.924	2.941
H14	-0.924	2.941

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4166	2.4242	2.8041	2.4242	1.4166	1.4020	2.1581	3.4008	3.8834	3.4008	2.1581	2.1655	2.1655
C2	1.4166		1.3698	2.3979	2.7761	2.4225	2.4560	1.0806	2.1228	3.3737	3.8560	3.4029	2.7086	3.4367
C3	2.4242	1.3698		1.3920	2.4068	2.7761	3.7071	2.1284	1.0799	2.1478	3.3855	3.8568	4.0727	4.5861
C4	2.8041	2.3979	1.3920		1.3920	2.3979	4.2060	3.3782	2.1448	1.0793	2.1448	3.3782	4.8515	4.8515
C5	2.4242	2.7761	2.4068	1.3920		1.3698	3.7071	3.8568	3.3855	2.1478	1.0799	2.1284	4.5861	4.0727
C6	1.4166	2.4225	2.7761	2.3979	1.3698		2.4560	3.4029	3.8560	3.3737	2.1228	1.0806	3.4367	2.7086
C7	1.4020	2.4560	3.7071	4.2060	3.7071	2.4560		2.6790	4.5765	5.2853	4.5765	2.6790	1.0783	1.0783
H8	2.1581	1.0806	2.1284	3.3782	3.8568	3.4029	2.6790		2.4464	4.2665	4.9366	4.2981	2.4802	3.7537
H9	3.4008	2.1228	1.0799	2.1448	3.3855	3.8560	4.5765	2.4464		2.4719	4.2776	4.9366	4.7604	5.5283
H10	3.8834	3.3737	2.1478	1.0793	2.1478	3.3737	5.2853	4.2665	2.4719		2.4719	4.2665	5.9146	5.9146
H11	3.4008	3.8560	3.3855	2.1448	1.0799	2.1228	4.5765	4.9366	4.2776	2.4719		2.4464	5.5283	4.7604
H12	2.1581	3.4029	3.8568	3.3782	2.1284	1.0806	2.6790	4.2981	4.9366	4.2665	2.4464		3.7537	2.4802
H13	2.1655	2.7086	4.0727	4.8515	4.5861	3.4367	1.0783	2.4802	4.7604	5.9146	5.5283	3.7537		1.8470
H14	2.1655	3.4367	4.5861	4.8515	4.0727	2.7086	1.0783	3.7537	5.5283	5.9146	4.7604	2.4802	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.907	C1	C2	H8	118.972
C1	C6	C5	120.907	C1	C6	H12	118.972
C1	C7	H13	121.083	C1	C7	H14	121.083
C2	C1	C6	117.531	C2	C1	C7	121.235
C2	C3	C4	120.503	C2	C3	H9	119.654
C3	C2	H8	120.120	C3	C4	C5	119.649
C3	C4	H10	120.175	C4	C3	H9	119.844
C4	C5	C6	120.503	C4	C5	H11	119.844
C5	C1	C7	150.236	C5	C4	H10	120.175
C5	C6	H12	120.120	C6	C5	H11	119.654
H13	C7	H14	117.835

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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