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	hartrees
Energy at 0K	-230.026966
Energy at 298.15K	-230.031858
HF Energy	-230.026966
Nuclear repulsion energy	194.473525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3124	3.67
2	A₁	3227	3109	5.56
3	A₁	3210	3092	0.29
4	A₁	1587	1529	0.07
5	A₁	1505	1449	16.61
6	A₁	1220	1175	0.06
7	A₁	1068	1029	7.78
8	A₁	1033	995	0.93
9	A₁	1031	993	1.16
10	A₁	645	622	0.98
11	A₂	1001	964	0.00
12	A₂	846	815	0.00
13	A₂	413	398	0.00
14	B₁	1034	996	0.24
15	B₁	925	891	1.74
16	B₁	750	723	70.01
17	B₁	704	678	55.53
18	B₁	440	424	5.33
19	B₂	3232	3113	11.56
20	B₂	3216	3098	2.38
21	B₂	1642	1581	2.87
22	B₂	1495	1440	9.79
23	B₂	1361	1311	0.03
24	B₂	1328	1279	0.58
25	B₂	1228	1183	0.26
26	B₂	1096	1056	3.42
27	B₂	630	607	0.36

Atom	y (Å)	z (Å)
C1	0.000	1.402
C2	1.223	0.770
C3	-1.223	0.770
C4	1.213	-0.633
C5	-1.213	-0.633
C6	0.000	-1.323
H7	2.157	1.320
H8	-2.157	1.320
H9	2.151	-1.177
H10	-2.151	-1.177
H11	0.000	-2.407

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3769	1.3769	2.3690	2.3690	2.7253	2.1586	2.1586	3.3589	3.3589	3.8096
C2	1.3769		2.4457	1.4023	2.8105	2.4237	1.0841	3.4243	2.1570	3.8954	3.4041
C3	1.3769	2.4457		2.8105	1.4023	2.4237	3.4243	1.0841	3.8954	2.1570	3.4041
C4	2.3690	1.4023	2.8105		2.4258	1.3956	2.1686	3.8946	1.0849	3.4077	2.1495
C5	2.3690	2.8105	1.4023	2.4258		1.3956	3.8946	2.1686	3.4077	1.0849	2.1495
C6	2.7253	2.4237	2.4237	1.3956	1.3956		3.4112	3.4112	2.1559	2.1559	1.0843
H7	2.1586	1.0841	3.4243	2.1686	3.8946	3.4112		4.3140	2.4972	4.9794	4.3061
H8	2.1586	3.4243	1.0841	3.8946	2.1686	3.4112	4.3140		4.9794	2.4972	4.3061
H9	3.3589	2.1570	3.8954	1.0849	3.4077	2.1559	2.4972	4.9794		4.3020	2.4777
H10	3.3589	3.8954	2.1570	3.4077	1.0849	2.1559	4.9794	2.4972	4.3020		2.4777
H11	3.8096	3.4041	3.4041	2.1495	2.1495	1.0843	4.3061	4.3061	2.4777	2.4777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.950	C1	C2	H7	122.149
C1	C3	C5	116.950	C1	C3	H8	122.149
C2	C1	C3	125.285	C2	C4	C6	120.056
C2	C4	H9	119.741	C3	C5	C6	120.056
C3	C5	H10	119.741	C4	C2	H7	120.901
C4	C6	C5	120.703	C4	C6	H11	119.649
C5	C3	H8	120.901	C5	C6	H11	119.649
C6	C4	H9	120.202	C6	C5	H10	120.202

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: HSEh1PBE/3-21G

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 C6H5 (phenyl)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₆H₅ (phenyl)