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	hartrees
Energy at 0K	-231.507641
Energy at 298.15K	-231.512220
Nuclear repulsion energy	193.249451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	3094	18.30
2	A₁	3086	3078	8.93
3	A₁	3068	3060	3.10
4	A₁	1516	1512	0.45
5	A₁	1428	1424	7.62
6	A₁	1148	1145	0.11
7	A₁	1021	1019	8.36
8	A₁	984	982	0.21
9	A₁	964	962	2.30
10	A₁	606	605	2.14
11	A₂	903	901	0.00
12	A₂	767	765	0.00
13	A₂	386	385	0.00
14	B₁	933	930	0.28
15	B₁	846	844	0.26
16	B₁	689	687	74.95
17	B₁	646	644	20.13
18	B₁	413	411	6.12
19	B₂	3088	3081	46.43
20	B₂	3074	3066	3.84
21	B₂	1569	1566	1.92
22	B₂	1424	1421	5.84
23	B₂	1297	1294	0.38
24	B₂	1270	1267	0.64
25	B₂	1152	1149	0.20
26	B₂	1042	1039	3.49
27	B₂	586	585	0.58

Atom	y (Å)	z (Å)
C1	0.000	1.407
C2	1.231	0.777
C3	-1.231	0.777
C4	1.220	-0.637
C5	-1.220	-0.637
C6	0.000	-1.332
H7	2.173	1.329
H8	-2.173	1.329
H9	2.167	-1.183
H10	-2.167	-1.183
H11	0.000	-2.424

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3825	1.3825	2.3797	2.3797	2.7383	2.1747	2.1747	3.3768	3.3768	3.8304
C2	1.3825		2.4616	1.4135	2.8293	2.4416	1.0925	3.4487	2.1723	3.9226	3.4293
C3	1.3825	2.4616		2.8293	1.4135	2.4416	3.4487	1.0925	3.9226	2.1723	3.4293
C4	2.3797	1.4135	2.8293		2.4402	1.4042	2.1850	3.9218	1.0933	3.4308	2.1640
C5	2.3797	2.8293	1.4135	2.4402		1.4042	3.9218	2.1850	3.4308	1.0933	2.1640
C6	2.7383	2.4416	2.4416	1.4042	1.4042		3.4359	3.4359	2.1719	2.1719	1.0921
H7	2.1747	1.0925	3.4487	2.1850	3.9218	3.4359		4.3467	2.5129	5.0151	4.3372
H8	2.1747	3.4487	1.0925	3.9218	2.1850	3.4359	4.3467		5.0151	2.5129	4.3372
H9	3.3768	2.1723	3.9226	1.0933	3.4308	2.1719	2.5129	5.0151		4.3337	2.4968
H10	3.3768	3.9226	2.1723	3.4308	1.0933	2.1719	5.0151	2.5129	4.3337		2.4968
H11	3.8304	3.4293	3.4293	2.1640	2.1640	1.0921	4.3372	4.3372	2.4968	2.4968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.657	C1	C2	H7	122.526
C1	C3	C5	116.657	C1	C3	H8	122.526
C2	C1	C3	125.817	C2	C4	C6	120.107
C2	C4	H9	119.575	C3	C5	C6	120.107
C3	C5	H10	119.575	C4	C2	H7	120.817
C4	C6	C5	120.655	C4	C6	H11	119.672
C5	C3	H8	120.817	C5	C6	H11	119.672
C6	C4	H9	120.319	C6	C5	H10	120.319

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: BLYP/6-311G*

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	0.029
2	C	-0.214
3	C	-0.214
4	C	-0.180
5	C	-0.180
6	C	-0.169
7	H	0.193
8	H	0.193
9	H	0.180
10	H	0.180
11	H	0.181

<r²>	123.215
(<r²>)^1/2	11.100

All results from a given calculation for C6H5 (phenyl)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₆H₅ (phenyl)