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	hartrees
Energy at 0K	-270.094638
Energy at 298.15K	-270.101500
HF Energy	-269.160652
Nuclear repulsion energy	258.013263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3101	13.25
2	A₁	3212	3082	5.10
3	A₁	3196	3067	5.84
4	A₁	3174	3045	5.96
5	A₁	1624	1558	1.11
6	A₁	1515	1454	5.39
7	A₁	1498	1437	0.53
8	A₁	1292	1239	2.39
9	A₁	1180	1132	0.01
10	A₁	1041	998	1.39
11	A₁	983	943	0.13
12	A₁	833	799	0.24
13	A₁	527	505	0.24
14	A₂	971	932	0.00
15	A₂	840	806	0.00
16	A₂	520	499	0.00
17	A₂	387	371	0.00
18	B₁	965	926	0.43
19	B₁	890	853	1.90
20	B₁	742	712	72.14
21	B₁	700	671	8.96
22	B₁	640	614	13.31
23	B₁	469	450	10.65
24	B₁	199	191	1.06
25	B₂	3280	3147	7.69
26	B₂	3219	3089	34.38
27	B₂	3199	3070	0.86
28	B₂	1610	1544	0.58
29	B₂	1484	1423	5.48
30	B₂	1343	1289	0.49
31	B₂	1312	1259	0.42
32	B₂	1156	1109	0.05
33	B₂	1119	1074	2.24
34	B₂	977	937	1.54
35	B₂	619	594	0.01
36	B₂	355	341	0.02

Atom	y (Å)	z (Å)
C1	0.000	1.000
C2	1.227	0.254
C3	1.220	-1.139
C4	0.000	-1.850
C5	-1.220	-1.139
C6	-1.227	0.254
C7	0.000	2.414
H8	2.178	0.801
H9	2.170	-1.687
H10	0.000	-2.946
H11	-2.170	-1.687
H12	-2.178	0.801
H13	0.939	2.977
H14	-0.939	2.977

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14
C1		1.4358	2.4627	2.8503	2.4627	1.4358	1.4138	2.1866	3.4536	3.9456	3.4536	2.1866	2.1886	2.1886
C2	1.4358		1.3934	2.4361	2.8162	2.4539	2.4837	1.0966	2.1581	3.4271	3.9123	3.4482	2.7376	3.4792
C3	2.4627	1.3934		1.4125	2.4407	2.8162	3.7566	2.1634	1.0961	2.1801	3.4340	3.9127	4.1254	4.6480
C4	2.8503	2.4361	1.4125		1.4125	2.4361	4.2640	3.4309	2.1758	1.0953	2.1758	3.4309	4.9176	4.9176
C5	2.4627	2.8162	2.4407	1.4125		1.3934	3.7566	3.9127	3.4340	2.1801	1.0961	2.1634	4.6480	4.1254
C6	1.4358	2.4539	2.8162	2.4361	1.3934		2.4837	3.4482	3.9123	3.4271	2.1581	1.0966	3.4792	2.7376
C7	1.4138	2.4837	3.7566	4.2640	3.7566	2.4837		2.7098	4.6394	5.3594	4.6394	2.7098	1.0951	1.0951
H8	2.1866	1.0966	2.1634	3.4309	3.9127	3.4482	2.7098		2.4880	4.3335	5.0089	4.3551	2.5034	3.8012
H9	3.4536	2.1581	1.0961	2.1758	3.4340	3.9123	4.6394	2.4880		2.5083	4.3393	5.0089	4.8233	5.6051
H10	3.9456	3.4271	2.1801	1.0953	2.1801	3.4271	5.3594	4.3335	2.5083		2.5083	4.3335	5.9964	5.9964
H11	3.4536	3.9123	3.4340	2.1758	1.0961	2.1581	4.6394	5.0089	4.3393	2.5083		2.4880	5.6051	4.8233
H12	2.1866	3.4482	3.9127	3.4309	2.1634	1.0966	2.7098	4.3551	5.0089	4.3335	2.4880		3.8012	2.5034
H13	2.1886	2.7376	4.1254	4.9176	4.6480	3.4792	1.0951	2.5034	4.8233	5.9964	5.6051	3.8012		1.8787
H14	2.1886	3.4792	4.6480	4.9176	4.1254	2.7376	1.0951	3.8012	5.6051	5.9964	4.8233	2.5034	1.8787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.016	C1	C2	H8	118.807
C1	C6	C5	121.016	C1	C6	H12	118.807
C1	C7	H13	120.934	C1	C7	H14	120.934
C2	C1	C6	117.422	C2	C1	C7	121.289
C2	C3	C4	120.507	C2	C3	H9	119.721
C3	C2	H8	120.177	C3	C4	C5	119.532
C3	C4	H10	120.234	C4	C3	H9	119.773
C4	C5	C6	120.507	C4	C5	H11	119.773
C5	C1	C7	150.295	C5	C4	H10	120.234
C5	C6	H12	120.177	C6	C5	H11	119.721
H13	C7	H14	118.132

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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