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	hartrees
Energy at 0K	-230.857455
Energy at 298.15K	-230.862229
HF Energy	-230.073537
Nuclear repulsion energy	194.667792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3081	4.70
2	A₁	3263	3072	15.08
3	A₁	3240	3050	0.70
4	A₁	1663	1566	0.35
5	A₁	1531	1441	8.92
6	A₁	1215	1144	0.04
7	A₁	1083	1020	6.25
8	A₁	1046	984	0.01
9	A₁	995	937	1.08
10	A₁	626	590	1.45
11	A₂	977	920	0.00
12	A₂	854	804	0.00
13	A₂	405	381	0.00
14	B₁	970	913	0.01
15	B₁	913	859	0.32
16	B₁	741	697	76.93
17	B₁	615	579	1.15
18	B₁	433	408	3.47
19	B₂	3268	3076	21.95
20	B₂	3247	3057	8.61
21	B₂	1709	1609	1.88
22	B₂	1511	1422	6.79
23	B₂	1349	1270	0.04
24	B₂	1283	1208	0.06
25	B₂	1186	1116	0.09
26	B₂	1107	1042	2.93
27	B₂	611	575	0.48

Atom	y (Å)	z (Å)
C1	0.000	1.402
C2	1.224	0.768
C3	-1.224	0.768
C4	1.211	-0.631
C5	-1.211	-0.631
C6	0.000	-1.322
H7	2.156	1.318
H8	-2.156	1.318
H9	2.147	-1.176
H10	-2.147	-1.176
H11	0.000	-2.404

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3787	1.3787	2.3656	2.3656	2.7231	2.1577	2.1577	3.3547	3.3547	3.8056
C2	1.3787		2.4485	1.3982	2.8079	2.4214	1.0820	3.4247	2.1516	3.8913	3.3996
C3	1.3787	2.4485		2.8079	1.3982	2.4214	3.4247	1.0820	3.8913	2.1516	3.3996
C4	2.3656	1.3982	2.8079		2.4217	1.3941	2.1654	3.8899	1.0833	3.4016	2.1473
C5	2.3656	2.8079	1.3982	2.4217		1.3941	3.8899	2.1654	3.4016	1.0833	2.1473
C6	2.7231	2.4214	2.4214	1.3941	1.3941		3.4079	3.4079	2.1516	2.1516	1.0824
H7	2.1577	1.0820	3.4247	2.1654	3.8899	3.4079		4.3120	2.4939	4.9733	4.3011
H8	2.1577	3.4247	1.0820	3.8899	2.1654	3.4079	4.3120		4.9733	2.4939	4.3011
H9	3.3547	2.1516	3.8913	1.0833	3.4016	2.1516	2.4939	4.9733		4.2934	2.4730
H10	3.3547	3.8913	2.1516	3.4016	1.0833	2.1516	4.9733	2.4939	4.2934		2.4730
H11	3.8056	3.3996	3.3996	2.1473	2.1473	1.0824	4.3011	4.3011	2.4730	2.4730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.830	C1	C2	H7	122.064
C1	C3	C5	116.830	C1	C3	H8	122.064
C2	C1	C3	125.242	C2	C4	C6	120.259
C2	C4	H9	119.695	C3	C5	C6	120.259
C3	C5	H10	119.695	C4	C2	H7	121.106
C4	C6	C5	120.580	C4	C6	H11	119.710
C5	C3	H8	121.106	C5	C6	H11	119.710
C6	C4	H9	120.046	C6	C5	H10	120.046

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₆H₅ (phenyl)