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	hartrees
Energy at 0K	-231.316402
Energy at 298.15K	-231.321153
HF Energy	-231.316402
Nuclear repulsion energy	194.538072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3086	8.16
2	A₁	3221	3075	4.63
3	A₁	3201	3056	0.67
4	A₁	1606	1533	1.40
5	A₁	1485	1418	7.84
6	A₁	1181	1127	0.09
7	A₁	1062	1014	10.89
8	A₁	1032	985	0.50
9	A₁	982	937	0.68
10	A₁	614	587	1.23
11	A₂	971	927	0.00
12	A₂	823	785	0.00
13	A₂	399	381	0.00
14	B₁	998	952	0.12
15	B₁	898	857	0.46
16	B₁	723	690	93.58
17	B₁	669	639	20.14
18	B₁	426	407	6.13
19	B₂	3224	3078	16.18
20	B₂	3208	3063	5.14
21	B₂	1665	1589	1.94
22	B₂	1474	1407	5.27
23	B₂	1369	1308	0.42
24	B₂	1311	1251	0.00
25	B₂	1179	1126	0.12
26	B₂	1085	1036	5.21
27	B₂	596	569	0.65

Atom	y (Å)	z (Å)
C1	0.000	1.396
C2	1.225	0.770
C3	-1.225	0.770
C4	1.212	-0.631
C5	-1.212	-0.631
C6	0.000	-1.322
H7	2.160	1.323
H8	-2.160	1.323
H9	2.152	-1.178
H10	-2.152	-1.178
H11	0.000	-2.408

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3754	1.3754	2.3615	2.3615	2.7173	2.1612	2.1612	3.3543	3.3543	3.8033
C2	1.3754		2.4501	1.4014	2.8114	2.4243	1.0861	3.4299	2.1572	3.8984	3.4060
C3	1.3754	2.4501		2.8114	1.4014	2.4243	3.4299	1.0861	3.8984	2.1572	3.4060
C4	2.3615	1.4014	2.8114		2.4244	1.3951	2.1719	3.8975	1.0870	3.4081	2.1508
C5	2.3615	2.8114	1.4014	2.4244		1.3951	3.8975	2.1719	3.4081	1.0870	2.1508
C6	2.7173	2.4243	2.4243	1.3951	1.3951		3.4148	3.4148	2.1566	2.1566	1.0860
H7	2.1612	1.0861	3.4299	2.1719	3.8975	3.4148		4.3200	2.5008	4.9845	4.3110
H8	2.1612	3.4299	1.0861	3.8975	2.1719	3.4148	4.3200		4.9845	2.5008	4.3110
H9	3.3543	2.1572	3.8984	1.0870	3.4081	2.1566	2.5008	4.9845		4.3035	2.4785
H10	3.3543	3.8984	2.1572	3.4081	1.0870	2.1566	4.9845	2.5008	4.3035		2.4785
H11	3.8033	3.4060	3.4060	2.1508	2.1508	1.0860	4.3110	4.3110	2.4785	2.4785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.511	C1	C2	H7	122.368
C1	C3	C5	116.511	C1	C3	H8	122.368
C2	C1	C3	125.924	C2	C4	C6	120.200
C2	C4	H9	119.664	C3	C5	C6	120.200
C3	C5	H10	119.664	C4	C2	H7	121.121
C4	C6	C5	120.654	C4	C6	H11	119.673
C5	C3	H8	121.121	C5	C6	H11	119.673
C6	C4	H9	120.137	C6	C5	H10	120.137

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: HSEh1PBE/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	-0.117
2	C	-0.136
3	C	-0.136
4	C	-0.116
5	C	-0.116
6	C	-0.195
7	H	0.171
8	H	0.171
9	H	0.159
10	H	0.159
11	H	0.158

<r²>	121.831
(<r²>)^1/2	11.038

All results from a given calculation for C6H5 (phenyl)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₆H₅ (phenyl)