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	hartrees
Energy at 0K	-270.047782
Energy at 298.15K	-270.054956
HF Energy	-269.166983
Nuclear repulsion energy	260.505201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3120	9.57
2	A₁	3233	3100	0.72
3	A₁	3216	3084	5.09
4	A₁	3201	3070	6.99
5	A₁	1702	1632	0.75
6	A₁	1515	1453	8.51
7	A₁	1496	1434	0.64
8	A₁	1271	1219	3.98
9	A₁	1186	1138	0.71
10	A₁	1074	1029	2.99
11	A₁	979	939	0.15
12	A₁	852	818	0.88
13	A₁	538	516	0.54
14	A₂	1080	1036	0.00
15	A₂	927	889	0.00
16	A₂	518	497	0.00
17	A₂	422	405	0.00
18	B₁	1053	1010	0.20
19	B₁	989	949	3.41
20	B₁	824	790	75.92
21	B₁	742	712	2.72
22	B₁	710	681	44.19
23	B₁	513	492	22.74
24	B₁	221	212	1.99
25	B₂	3320	3183	3.65
26	B₂	3239	3106	21.41
27	B₂	3219	3087	0.89
28	B₂	1684	1615	0.23
29	B₂	1514	1452	6.48
30	B₂	1341	1286	0.23
31	B₂	1276	1224	0.19
32	B₂	1155	1108	3.38
33	B₂	1142	1095	2.56
34	B₂	985	945	3.07
35	B₂	635	609	0.01
36	B₂	361	346	0.15

Atom	y (Å)	z (Å)
C1	0.000	0.981
C2	1.212	0.248
C3	1.206	-1.127
C4	0.000	-1.830
C5	-1.206	-1.127
C6	-1.212	0.248
C7	0.000	2.400
H8	2.160	0.795
H9	2.152	-1.674
H10	0.000	-2.922
H11	-2.152	-1.674
H12	-2.160	0.795
H13	0.937	2.958
H14	-0.937	2.958

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4166	2.4286	2.8116	2.4286	1.4166	1.4185	2.1676	3.4179	3.9038	3.4179	2.1676	2.1873	2.1873
C2	1.4166		1.3747	2.4059	2.7814	2.4241	2.4697	1.0938	2.1395	3.3942	3.8746	3.4156	2.7238	3.4585
C3	2.4286	1.3747		1.3962	2.4119	2.7814	3.7270	2.1449	1.0932	2.1631	3.4026	3.8752	4.0934	4.6125
C4	2.8116	2.4059	1.3962		1.3962	2.4059	4.2301	3.3990	2.1581	1.0921	2.1581	3.3990	4.8789	4.8789
C5	2.4286	2.7814	2.4119	1.3962		1.3747	3.7270	3.8752	3.4026	2.1631	1.0932	2.1449	4.6125	4.0934
C6	1.4166	2.4241	2.7814	2.4059	1.3747		2.4697	3.4156	3.8746	3.3942	2.1395	1.0938	3.4585	2.7238
C7	1.4185	2.4697	3.7270	4.2301	3.7270	2.4697		2.6909	4.6073	5.3223	4.6073	2.6909	1.0905	1.0905
H8	2.1676	1.0938	2.1449	3.3990	3.8752	3.4156	2.6909		2.4682	4.2987	4.9684	4.3191	2.4849	3.7773
H9	3.4179	2.1395	1.0932	2.1581	3.4026	3.8746	4.6073	2.4682		2.4885	4.3049	4.9684	4.7884	5.5673
H10	3.9038	3.3942	2.1631	1.0921	2.1631	3.3942	5.3223	4.2987	2.4885		2.4885	4.2987	5.9544	5.9544
H11	3.4179	3.8746	3.4026	2.1581	1.0932	2.1395	4.6073	4.9684	4.3049	2.4885		2.4682	5.5673	4.7884
H12	2.1676	3.4156	3.8752	3.3990	2.1449	1.0938	2.6909	4.3191	4.9684	4.2987	2.4682		3.7773	2.4849
H13	2.1873	2.7238	4.0934	4.8789	4.6125	3.4585	1.0905	2.4849	4.7884	5.9544	5.5673	3.7773		1.8738
H14	2.1873	3.4585	4.6125	4.8789	4.0934	2.7238	1.0905	3.7773	5.5673	5.9544	4.7884	2.4849	1.8738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.921	C1	C2	H8	118.849
C1	C6	C5	120.921	C1	C6	H12	118.849
C1	C7	H13	120.777	C1	C7	H14	120.777
C2	C1	C6	117.649	C2	C1	C7	121.176
C2	C3	C4	120.515	C2	C3	H9	119.768
C3	C2	H8	120.229	C3	C4	C5	119.478
C3	C4	H10	120.261	C4	C3	H9	119.716
C4	C5	C6	120.515	C4	C5	H11	119.716
C5	C1	C7	150.228	C5	C4	H10	120.261
C5	C6	H12	120.229	C6	C5	H11	119.768
H13	C7	H14	118.446

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

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

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