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	hartrees
Energy at 0K	-270.061023
Energy at 298.15K	-270.067782
HF Energy	-269.157909
Nuclear repulsion energy	262.251481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3096	11.69
2	A₁	3277	3078	0.91
3	A₁	3261	3063	9.26
4	A₁	3255	3058	5.16
5	A₁	1732	1627	0.69
6	A₁	1565	1470	7.57
7	A₁	1540	1447	1.92
8	A₁	1296	1217	3.84
9	A₁	1216	1142	1.10
10	A₁	1094	1028	2.91
11	A₁	1000	940	0.15
12	A₁	866	814	0.82
13	A₁	549	515	0.58
14	A₂	1041	978	0.00
15	A₂	916	861	0.00
16	A₂	478	449	0.00
17	A₂	403	379	0.00
18	B₁	1009	947	1.23
19	B₁	957	898	1.22
20	B₁	782	734	120.64
21	B₁	638	599	46.83
22	B₁	465	436	11.92
23	B₁	387	364	2.39
24	B₁	198	186	2.43
25	B₂	3371	3166	4.62
26	B₂	3283	3083	25.90
27	B₂	3263	3065	1.66
28	B₂	1713	1609	0.32
29	B₂	1557	1462	6.34
30	B₂	1394	1309	0.40
31	B₂	1306	1227	0.22
32	B₂	1184	1112	2.70
33	B₂	1174	1103	3.77
34	B₂	1013	951	2.89
35	B₂	651	611	0.00
36	B₂	362	340	0.22

Atom	y (Å)	z (Å)
C1	0.000	0.976
C2	1.204	0.246
C3	1.198	-1.121
C4	0.000	-1.820
C5	-1.198	-1.121
C6	-1.204	0.246
C7	0.000	2.387
H8	2.142	0.786
H9	2.135	-1.661
H10	0.000	-2.900
H11	-2.135	-1.661
H12	-2.142	0.786
H13	0.925	2.942
H14	-0.925	2.942

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4076	2.4144	2.7955	2.4144	1.4076	1.4111	2.1503	3.3923	3.8760	3.3923	2.1503	2.1725	2.1725
C2	1.4076		1.3669	2.3912	2.7633	2.4077	2.4558	1.0824	2.1220	3.3690	3.8449	3.3891	2.7096	3.4345
C3	2.4144	1.3669		1.3869	2.3955	2.7633	3.7063	2.1277	1.0816	2.1452	3.3761	3.8457	4.0713	4.5832
C4	2.7955	2.3912	1.3869		1.3869	2.3912	4.2066	3.3733	2.1408	1.0805	2.1408	3.3733	4.8503	4.8503
C5	2.4144	2.7633	2.3955	1.3869		1.3669	3.7063	3.8457	3.3761	2.1452	1.0816	2.1277	4.5832	4.0713
C6	1.4076	2.4077	2.7633	2.3912	1.3669		2.4558	3.3891	3.8449	3.3690	2.1220	1.0824	3.4345	2.7096
C7	1.4111	2.4558	3.7063	4.2066	3.7063	2.4558		2.6739	4.5760	5.2871	4.5760	2.6739	1.0784	1.0784
H8	2.1503	1.0824	2.1277	3.3733	3.8457	3.3891	2.6739		2.4468	4.2636	4.9273	4.2839	2.4752	3.7484
H9	3.3923	2.1220	1.0816	2.1408	3.3761	3.8449	4.5760	2.4468		2.4687	4.2698	4.9273	4.7585	5.5264
H10	3.8760	3.3690	2.1452	1.0805	2.1452	3.3690	5.2871	4.2636	2.4687		2.4687	4.2636	5.9146	5.9146
H11	3.3923	3.8449	3.3761	2.1408	1.0816	2.1220	4.5760	4.9273	4.2698	2.4687		2.4468	5.5264	4.7585
H12	2.1503	3.3891	3.8457	3.3733	2.1277	1.0824	2.6739	4.2839	4.9273	4.2636	2.4468		3.7484	2.4752
H13	2.1725	2.7096	4.0713	4.8503	4.5832	3.4345	1.0784	2.4752	4.7585	5.9146	5.5264	3.7484		1.8497
H14	2.1725	3.4345	4.5832	4.8503	4.0713	2.7096	1.0784	3.7484	5.5264	5.9146	4.7585	2.4752	1.8497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.958	C1	C2	H8	118.866
C1	C6	C5	120.958	C1	C6	H12	118.866
C1	C7	H13	120.955	C1	C7	H14	120.955
C2	C1	C6	117.573	C2	C1	C7	121.213
C2	C3	C4	120.530	C2	C3	H9	119.696
C3	C2	H8	120.177	C3	C4	C5	119.452
C3	C4	H10	120.274	C4	C3	H9	119.774
C4	C5	C6	120.530	C4	C5	H11	119.774
C5	C1	C7	150.258	C5	C4	H10	120.274
C5	C6	H12	120.177	C6	C5	H11	119.696
H13	C7	H14	118.091

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H5CH2 (benzyl radical)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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