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	hartrees
Energy at 0K	-266.316943
Energy at 298.15K	-266.323352
HF Energy	-265.881595
Nuclear repulsion energy	254.957191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3442	3442	0.37
2	A₁	3427	3427	0.76
3	A₁	3415	3415	0.20
4	A₁	3361	3361	3.97
5	A₁	1652	1652	0.18
6	A₁	1604	1604	4.99
7	A₁	1575	1575	0.22
8	A₁	1330	1330	0.79
9	A₁	1220	1220	0.02
10	A₁	1069	1069	0.46
11	A₁	1005	1005	0.84
12	A₁	841	841	0.01
13	A₁	538	538	0.24
14	A₂	1026	1026	0.00
15	A₂	866	866	0.00
16	A₂	596	596	0.00
17	A₂	400	400	0.00
18	B₁	1030	1030	0.06
19	B₁	921	921	0.68
20	B₁	770	770	13.87
21	B₁	703	703	0.11
22	B₁	690	690	13.81
23	B₁	474	474	2.30
24	B₁	200	200	0.24
25	B₂	3515	3515	0.32
26	B₂	3434	3434	0.03
27	B₂	3419	3419	0.00
28	B₂	1661	1661	0.35
29	B₂	1552	1552	2.58
30	B₂	1421	1421	0.49
31	B₂	1267	1267	0.00
32	B₂	1170	1170	0.21
33	B₂	1095	1095	0.01
34	B₂	1012	1012	0.00
35	B₂	641	641	0.01
36	B₂	362	362	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.017
C2	1.248	0.254
C3	1.237	-1.150
C4	0.000	-1.868
C5	-1.237	-1.150
C6	-1.248	0.254
C7	0.000	2.438
H8	2.208	0.806
H9	2.193	-1.709
H10	0.000	-2.976
H11	-2.193	-1.709
H12	-2.208	0.806
H13	0.945	3.011
H14	-0.945	3.011

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4632	2.4960	2.8859	2.4960	1.4632	1.4206	2.2180	3.4993	3.9929	3.4993	2.2180	2.2062	2.2062
C2	1.4632		1.4040	2.4618	2.8543	2.4961	2.5159	1.1078	2.1786	3.4618	3.9617	3.5000	2.7739	3.5233
C3	2.4960	1.4040		1.4305	2.4743	2.8543	3.7957	2.1844	1.1075	2.2049	3.4757	3.9621	4.1714	4.6988
C4	2.8859	2.4618	1.4305		1.4305	2.4618	4.3065	3.4685	2.1990	1.1070	2.1990	3.4685	4.9701	4.9701
C5	2.4960	2.8543	2.4743	1.4305		1.4040	3.7957	3.9621	3.4757	2.2049	1.1075	2.1844	4.6988	4.1714
C6	1.4632	2.4961	2.8543	2.4618	1.4040		2.5159	3.5000	3.9617	3.4618	2.1786	1.1078	3.5233	2.7739
C7	1.4206	2.5159	3.7957	4.3065	3.7957	2.5159		2.7454	4.6915	5.4135	4.6915	2.7454	1.1054	1.1054
H8	2.2180	1.1078	2.1844	3.4685	3.9621	3.5000	2.7454		2.5158	4.3793	5.0695	4.4159	2.5404	3.8474
H9	3.4993	2.1786	1.1075	2.1990	3.4757	3.9617	4.6915	2.5158		2.5325	4.3865	5.0695	4.8823	5.6684
H10	3.9929	3.4618	2.2049	1.1070	2.2049	3.4618	5.4135	4.3793	2.5325		2.5325	4.3793	6.0605	6.0605
H11	3.4993	3.9617	3.4757	2.1990	1.1075	2.1786	4.6915	5.0695	4.3865	2.5325		2.5158	5.6684	4.8823
H12	2.2180	3.5000	3.9621	3.4685	2.1844	1.1078	2.7454	4.4159	5.0695	4.3793	2.5158		3.8474	2.5404
H13	2.2062	2.7739	4.1714	4.9701	4.6988	3.5233	1.1054	2.5404	4.8823	6.0605	5.6684	3.8474		1.8907
H14	2.2062	3.5233	4.6988	4.9701	4.1714	2.7739	1.1054	3.8474	5.6684	6.0605	4.8823	2.5404	1.8907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.024	C1	C2	H8	118.590
C1	C6	C5	121.024	C1	C6	H12	118.590
C1	C7	H13	121.214	C1	C7	H14	121.214
C2	C1	C6	117.063	C2	C1	C7	121.468
C2	C3	C4	120.577	C2	C3	H9	119.866
C3	C2	H8	120.385	C3	C4	C5	119.735
C3	C4	H10	120.133	C4	C3	H9	119.557
C4	C5	C6	120.577	C4	C5	H11	119.557
C5	C1	C7	150.286	C5	C4	H10	120.133
C5	C6	H12	120.385	C6	C5	H11	119.866
H13	C7	H14	117.573

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

using model chemistry: QCISD/STO-3G

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/STO-3G

States and conformations

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