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	hartrees
Energy at 0K	-270.797067
Energy at 298.15K	-270.803925
HF Energy	-270.797067
Nuclear repulsion energy	260.381287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3089	13.12
2	A₁	3210	3071	3.97
3	A₁	3195	3057	7.62
4	A₁	3179	3041	6.37
5	A₁	1624	1553	0.47
6	A₁	1513	1447	9.98
7	A₁	1492	1427	0.05
8	A₁	1299	1243	1.83
9	A₁	1188	1136	0.26
10	A₁	1045	1000	3.03
11	A₁	990	947	0.63
12	A₁	834	798	0.49
13	A₁	524	501	0.30
14	A₂	977	935	0.00
15	A₂	833	797	0.00
16	A₂	499	478	0.00
17	A₂	387	370	0.00
18	B₁	991	948	0.00
19	B₁	902	863	5.36
20	B₁	771	738	79.17
21	B₁	709	678	2.51
22	B₁	678	649	50.87
23	B₁	472	452	16.91
24	B₁	196	188	1.61
25	B₂	3282	3140	8.49
26	B₂	3216	3076	35.62
27	B₂	3198	3059	1.53
28	B₂	1602	1533	0.49
29	B₂	1482	1418	5.15
30	B₂	1374	1314	0.37
31	B₂	1342	1283	0.92
32	B₂	1174	1123	0.01
33	B₂	1121	1072	3.86
34	B₂	972	930	2.09
35	B₂	615	588	0.00
36	B₂	349	334	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.992
C2	1.214	0.252
C3	1.208	-1.130
C4	0.000	-1.834
C5	-1.208	-1.130
C6	-1.214	0.252
C7	0.000	2.395
H8	2.155	0.793
H9	2.148	-1.672
H10	0.000	-2.919
H11	-2.148	-1.672
H12	-2.155	0.793
H13	0.928	2.954
H14	-0.928	2.954

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4221	2.4422	2.8262	2.4422	1.4221	1.4028	2.1646	3.4224	3.9106	3.4224	2.1646	2.1705	2.1705
C2	1.4221		1.3821	2.4136	2.7889	2.4284	2.4631	1.0857	2.1387	3.3949	3.8741	3.4128	2.7174	3.4485
C3	2.4422	1.3821		1.3982	2.4163	2.7889	3.7265	2.1438	1.0851	2.1581	3.4000	3.8746	4.0940	4.6094
C4	2.8262	2.4136	1.3982		1.3982	2.4136	4.2290	3.3981	2.1545	1.0844	2.1545	3.3981	4.8774	4.8774
C5	2.4422	2.7889	2.4163	1.3982		1.3821	3.7265	3.8746	3.4000	2.1581	1.0851	2.1438	4.6094	4.0940
C6	1.4221	2.4284	2.7889	2.4136	1.3821		2.4631	3.4128	3.8741	3.3949	2.1387	1.0857	3.4485	2.7174
C7	1.4028	2.4631	3.7265	4.2290	3.7265	2.4631		2.6856	4.5995	5.3134	4.5995	2.6856	1.0836	1.0836
H8	2.1646	1.0857	2.1438	3.3981	3.8746	3.4128	2.6856		2.4649	4.2919	4.9597	4.3109	2.4854	3.7656
H9	3.4224	2.1387	1.0851	2.1545	3.4000	3.8741	4.5995	2.4649		2.4838	4.2968	4.9597	4.7843	5.5558
H10	3.9106	3.3949	2.1581	1.0844	2.1581	3.3949	5.3134	4.2919	2.4838		2.4838	4.2919	5.9455	5.9455
H11	3.4224	3.8741	3.4000	2.1545	1.0851	2.1387	4.5995	4.9597	4.2968	2.4838		2.4649	5.5558	4.7843
H12	2.1646	3.4128	3.8746	3.3981	2.1438	1.0857	2.6856	4.3109	4.9597	4.2919	2.4649		3.7656	2.4854
H13	2.1705	2.7174	4.0940	4.8774	4.6094	3.4485	1.0836	2.4854	4.7843	5.9455	5.5558	3.7656		1.8564
H14	2.1705	3.4485	4.6094	4.8774	4.0940	2.7174	1.0836	3.7656	5.5558	5.9455	4.7843	2.4854	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.119	C1	C2	H8	118.740
C1	C6	C5	121.119	C1	C6	H12	118.740
C1	C7	H13	121.068	C1	C7	H14	121.068
C2	C1	C6	117.262	C2	C1	C7	121.369
C2	C3	C4	120.474	C2	C3	H9	119.700
C3	C2	H8	120.141	C3	C4	C5	119.553
C3	C4	H10	120.223	C4	C3	H9	119.826
C4	C5	C6	120.474	C4	C5	H11	119.826
C5	C1	C7	150.349	C5	C4	H10	120.223
C5	C6	H12	120.141	C6	C5	H11	119.700
H13	C7	H14	117.864

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

using model chemistry: B1B95/6-31+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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Number	Element	Mulliken
1	C	0.537
2	C	-0.339
3	C	-0.134
4	C	-0.164
5	C	-0.134
6	C	-0.339
7	C	-0.444
8	H	0.141
9	H	0.146
10	H	0.146
11	H	0.146
12	H	0.141
13	H	0.148
14	H	0.148

<r²>	190.164
(<r²>)^1/2	13.790

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

using model chemistry: B1B95/6-31+G**

States and conformations

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