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	hartrees
Energy at 0K	-270.007728
Energy at 298.15K	-270.014852
HF Energy	-269.159948
Nuclear repulsion energy	260.574137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3109	11.26
2	A₁	3244	3090	1.24
3	A₁	3227	3074	5.74
4	A₁	3212	3059	5.12
5	A₁	1716	1634	1.12
6	A₁	1539	1466	9.69
7	A₁	1501	1429	0.80
8	A₁	1278	1217	4.93
9	A₁	1192	1135	0.76
10	A₁	1080	1029	2.13
11	A₁	989	942	0.03
12	A₁	859	818	0.80
13	A₁	540	515	0.62
14	A₂	1077	1026	0.00
15	A₂	930	885	0.00
16	A₂	508	484	0.00
17	A₂	419	399	0.00
18	B₁	1068	1017	0.26
19	B₁	985	938	2.07
20	B₁	807	769	71.37
21	B₁	712	678	2.89
22	B₁	681	648	29.23
23	B₁	509	484	14.75
24	B₁	219	209	1.49
25	B₂	3332	3173	3.74
26	B₂	3251	3097	25.33
27	B₂	3231	3077	0.88
28	B₂	1697	1617	0.55
29	B₂	1535	1462	9.10
30	B₂	1356	1292	0.45
31	B₂	1290	1229	0.29
32	B₂	1161	1106	2.22
33	B₂	1149	1095	3.49
34	B₂	993	946	2.11
35	B₂	639	609	0.00
36	B₂	357	340	0.14

Atom	y (Å)	z (Å)
C1	0.000	0.982
C2	1.211	0.248
C3	1.205	-1.127
C4	0.000	-1.830
C5	-1.205	-1.127
C6	-1.211	0.248
C7	0.000	2.400
H8	2.159	0.794
H9	2.153	-1.673
H10	0.000	-2.923
H11	-2.153	-1.673
H12	-2.159	0.794
H13	0.938	2.958
H14	-0.938	2.958

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4162	2.4286	2.8121	2.4286	1.4162	1.4174	2.1676	3.4185	3.9054	3.4185	2.1676	2.1875	2.1875
C2	1.4162		1.3742	2.4046	2.7790	2.4216	2.4691	1.0950	2.1394	3.3942	3.8735	3.4143	2.7244	3.4591
C3	2.4286	1.3742		1.3951	2.4095	2.7790	3.7262	2.1451	1.0945	2.1633	3.4019	3.8740	4.0935	4.6128
C4	2.8121	2.4046	1.3951		1.3951	2.4046	4.2294	3.3986	2.1586	1.0934	2.1586	3.3986	4.8792	4.8792
C5	2.4286	2.7790	2.4095	1.3951		1.3742	3.7262	3.8740	3.4019	2.1633	1.0945	2.1451	4.6128	4.0935
C6	1.4162	2.4216	2.7790	2.4046	1.3742		2.4691	3.4143	3.8735	3.3942	2.1394	1.0950	3.4591	2.7244
C7	1.4174	2.4691	3.7262	4.2294	3.7262	2.4691		2.6907	4.6067	5.3228	4.6067	2.6907	1.0919	1.0919
H8	2.1676	1.0950	2.1451	3.3986	3.8740	3.4143	2.6907		2.4676	4.2994	4.9685	4.3190	2.4848	3.7785
H9	3.4185	2.1394	1.0945	2.1586	3.4019	3.8735	4.6067	2.4676		2.4896	4.3059	4.9685	4.7882	5.5682
H10	3.9054	3.3942	2.1633	1.0934	2.1633	3.3942	5.3228	4.2994	2.4896		2.4896	4.2994	5.9559	5.9559
H11	3.4185	3.8735	3.4019	2.1586	1.0945	2.1394	4.6067	4.9685	4.3059	2.4896		2.4676	5.5682	4.7882
H12	2.1676	3.4143	3.8740	3.3986	2.1451	1.0950	2.6907	4.3190	4.9685	4.2994	2.4676		3.7785	2.4848
H13	2.1875	2.7244	4.0935	4.8792	4.6128	3.4591	1.0919	2.4848	4.7882	5.9559	5.5682	3.7785		1.8762
H14	2.1875	3.4591	4.6128	4.8792	4.0935	2.7244	1.0919	3.7785	5.5682	5.9559	4.7882	2.4848	1.8762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.992	C1	C2	H8	118.799
C1	C6	C5	120.992	C1	C6	H12	118.799
C1	C7	H13	120.781	C1	C7	H14	120.781
C2	C1	C6	117.513	C2	C1	C7	121.243
C2	C3	C4	120.529	C2	C3	H9	119.714
C3	C2	H8	120.209	C3	C4	C5	119.444
C3	C4	H10	120.278	C4	C3	H9	119.757
C4	C5	C6	120.529	C4	C5	H11	119.757
C5	C1	C7	150.259	C5	C4	H10	120.278
C5	C6	H12	120.209	C6	C5	H11	119.714
H13	C7	H14	118.438

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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