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	hartrees
Energy at 0K	-270.365122
Energy at 298.15K	-270.358057
HF Energy	-269.140392
Nuclear repulsion energy	259.705039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3383	3188	22.58
2	A₁	3363	3169	17.71
3	A₁	3349	3156	7.19
4	A₁	3330	3137	11.90
5	A₁	1656	1560	0.33
6	A₁	1634	1540	1.97
7	A₁	1611	1518	3.31
8	A₁	1347	1269	0.72
9	A₁	1249	1177	0.06
10	A₁	1076	1013	0.47
11	A₁	1035	975	0.00
12	A₁	851	802	0.01
13	A₁	555	522	0.23
14	A₂	993	936	0.00
15	A₂	849	800	0.00
16	A₂	542	511	0.00
17	A₂	395	372	0.00
18	B₁	1013	955	0.00
19	B₁	914	861	5.89
20	B₁	781	735	79.56
21	B₁	724	682	3.60
22	B₁	683	644	36.11
23	B₁	488	460	10.09
24	B₁	206	194	0.99
25	B₂	3423	3225	16.34
26	B₂	3371	3176	59.14
27	B₂	3352	3158	1.21
28	B₂	1650	1555	1.65
29	B₂	1565	1475	3.23
30	B₂	1456	1372	0.60
31	B₂	1416	1335	0.06
32	B₂	1244	1172	0.01
33	B₂	1165	1098	0.59
34	B₂	1036	976	0.73
35	B₂	652	615	0.01
36	B₂	383	361	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.975
C2	1.203	0.246
C3	1.197	-1.119
C4	0.000	-1.817
C5	-1.197	-1.119
C6	-1.203	0.246
C7	0.000	2.384
H8	2.145	0.788
H9	2.138	-1.662
H10	0.000	-2.903
H11	-2.138	-1.662
H12	-2.145	0.788
H13	0.926	2.945
H14	-0.926	2.945

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4069	2.4122	2.7926	2.4122	1.4069	1.4085	2.1530	3.3950	3.8780	3.3950	2.1530	2.1765	2.1765
C2	1.4069		1.3649	2.3881	2.7606	2.4059	2.4533	1.0872	2.1245	3.3704	3.8471	3.3916	2.7133	3.4379
C3	2.4122	1.3649		1.3854	2.3933	2.7606	3.7018	2.1305	1.0865	2.1478	3.3784	3.8478	4.0730	4.5851
C4	2.7926	2.3881	1.3854		1.3854	2.3881	4.2011	3.3751	2.1435	1.0855	2.1435	3.3751	4.8514	4.8514
C5	2.4122	2.7606	2.3933	1.3854		1.3649	3.7018	3.8478	3.3784	2.1478	1.0865	2.1305	4.5851	4.0730
C6	1.4069	2.4059	2.7606	2.3881	1.3649		2.4533	3.3916	3.8471	3.3704	2.1245	1.0872	3.4379	2.7133
C7	1.4085	2.4533	3.7018	4.2011	3.7018	2.4533		2.6730	4.5759	5.2866	4.5759	2.6730	1.0829	1.0829
H8	2.1530	1.0872	2.1305	3.3751	3.8478	3.3916	2.6730		2.4507	4.2693	4.9343	4.2898	2.4767	3.7525
H9	3.3950	2.1245	1.0865	2.1435	3.3784	3.8471	4.5759	2.4507		2.4718	4.2757	4.9343	4.7635	5.5328
H10	3.8780	3.3704	2.1478	1.0855	2.1478	3.3704	5.2866	4.2693	2.4718		2.4718	4.2693	5.9205	5.9205
H11	3.3950	3.8471	3.3784	2.1435	1.0865	2.1245	4.5759	4.9343	4.2757	2.4718		2.4507	5.5328	4.7635
H12	2.1530	3.3916	3.8478	3.3751	2.1305	1.0872	2.6730	4.2898	4.9343	4.2693	2.4507		3.7525	2.4767
H13	2.1765	2.7133	4.0730	4.8514	4.5851	3.4379	1.0829	2.4767	4.7635	5.9205	5.5328	3.7525		1.8526
H14	2.1765	3.4379	4.5851	4.8514	4.0730	2.7133	1.0829	3.7525	5.5328	5.9205	4.7635	2.4767	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.028	C1	C2	H8	118.977
C1	C6	C5	121.028	C1	C6	H12	118.977
C1	C7	H13	121.272	C1	C7	H14	121.272
C2	C1	C6	117.437	C2	C1	C7	121.282
C2	C3	C4	120.415	C2	C3	H9	119.757
C3	C2	H8	119.995	C3	C4	C5	119.678
C3	C4	H10	120.161	C4	C3	H9	119.828
C4	C5	C6	120.415	C4	C5	H11	119.828
C5	C1	C7	150.333	C5	C4	H10	120.161
C5	C6	H12	119.995	C6	C5	H11	119.757
H13	C7	H14	117.456

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

using model chemistry: G2

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C6H5CH2 (benzyl radical)

using model chemistry: G2

States and conformations

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