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	hartrees
Energy at 0K	-270.034316
Energy at 298.15K	-270.041059
HF Energy	-269.139439
Nuclear repulsion energy	259.562897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3069	16.90
2	A₁	3203	3050	5.32
3	A₁	3189	3037	9.84
4	A₁	3181	3029	4.80
5	A₁	1642	1564	1.47
6	A₁	1537	1464	6.81
7	A₁	1528	1455	0.34
8	A₁	1308	1246	3.16
9	A₁	1211	1153	0.03
10	A₁	1058	1008	1.14
11	A₁	997	949	0.07
12	A₁	842	802	0.24
13	A₁	536	510	0.26
14	A₂	924	880	0.00
15	A₂	825	785	0.00
16	A₂	515	491	0.00
17	A₂	385	367	0.00
18	B₁	911	867	1.64
19	B₁	857	817	2.12
20	B₁	725	690	95.41
21	B₁	684	651	22.23
22	B₁	572	545	2.06
23	B₁	461	439	8.99
24	B₁	198	188	1.03
25	B₂	3276	3119	10.04
26	B₂	3209	3056	40.12
27	B₂	3190	3038	1.51
28	B₂	1628	1550	1.03
29	B₂	1509	1437	6.71
30	B₂	1375	1310	0.51
31	B₂	1318	1255	0.29
32	B₂	1190	1133	0.09
33	B₂	1144	1090	2.22
34	B₂	993	946	1.05
35	B₂	631	601	0.01
36	B₂	362	345	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.994
C2	1.220	0.252
C3	1.213	-1.132
C4	0.000	-1.839
C5	-1.213	-1.132
C6	-1.220	0.252
C7	0.000	2.400
H8	2.165	0.795
H9	2.156	-1.677
H10	0.000	-2.928
H11	-2.156	-1.677
H12	-2.165	0.795
H13	0.929	2.964
H14	-0.929	2.964

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4278	2.4481	2.8331	2.4481	1.4278	1.4055	2.1740	3.4328	3.9216	3.4328	2.1740	2.1781	2.1781
C2	1.4278		1.3846	2.4211	2.7992	2.4398	2.4697	1.0900	2.1445	3.4058	3.8885	3.4281	2.7273	3.4601
C3	2.4481	1.3846		1.4037	2.4257	2.7992	3.7345	2.1501	1.0893	2.1665	3.4129	3.8892	4.1062	4.6226
C4	2.8331	2.4211	1.4037		1.4037	2.4211	4.2386	3.4099	2.1624	1.0885	2.1624	3.4099	4.8921	4.8921
C5	2.4481	2.7992	2.4257	1.4037		1.3846	3.7345	3.8892	3.4129	2.1665	1.0893	2.1501	4.6226	4.1062
C6	1.4278	2.4398	2.7992	2.4211	1.3846		2.4697	3.4281	3.8885	3.4058	2.1445	1.0900	3.4601	2.7273
C7	1.4055	2.4697	3.7345	4.2386	3.7345	2.4697		2.6944	4.6117	5.3272	4.6117	2.6944	1.0872	1.0872
H8	2.1740	1.0900	2.1501	3.4099	3.8892	3.4281	2.6944		2.4725	4.3067	4.9785	4.3297	2.4958	3.7784
H9	3.4328	2.1445	1.0893	2.1624	3.4129	3.8885	4.6117	2.4725		2.4927	4.3126	4.9785	4.8004	5.5731
H10	3.9216	3.4058	2.1665	1.0885	2.1665	3.4058	5.3272	4.3067	2.4927		2.4927	4.3067	5.9643	5.9643
H11	3.4328	3.8885	3.4129	2.1624	1.0893	2.1445	4.6117	4.9785	4.3126	2.4927		2.4725	5.5731	4.8004
H12	2.1740	3.4281	3.8892	3.4099	2.1501	1.0900	2.6944	4.3297	4.9785	4.3067	2.4725		3.7784	2.4958
H13	2.1781	2.7273	4.1062	4.8921	4.6226	3.4601	1.0872	2.4958	4.8004	5.9643	5.5731	3.7784		1.8586
H14	2.1781	3.4601	4.6226	4.8921	4.1062	2.7273	1.0872	3.7784	5.5731	5.9643	4.8004	2.4958	1.8586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.014	C1	C2	H8	118.802
C1	C6	C5	121.014	C1	C6	H12	118.802
C1	C7	H13	121.269	C1	C7	H14	121.269
C2	C1	C6	117.390	C2	C1	C7	121.305
C2	C3	C4	120.517	C2	C3	H9	119.704
C3	C2	H8	120.184	C3	C4	C5	119.549
C3	C4	H10	120.226	C4	C3	H9	119.779
C4	C5	C6	120.517	C4	C5	H11	119.779
C5	C1	C7	150.301	C5	C4	H10	120.226
C5	C6	H12	120.184	C6	C5	H11	119.704
H13	C7	H14	117.461

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

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

States and conformations

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