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	hartrees
Energy at 0K	-231.579890
Energy at 298.15K	-231.584620
Nuclear repulsion energy	194.039743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3090	9.91
2	A₁	3194	3079	5.86
3	A₁	3174	3061	0.91
4	A₁	1580	1523	1.34
5	A₁	1475	1423	7.02
6	A₁	1177	1135	0.11
7	A₁	1053	1015	9.83
8	A₁	1017	980	0.28
9	A₁	983	948	0.92
10	A₁	617	595	1.37
11	A₂	964	930	0.00
12	A₂	813	784	0.00
13	A₂	400	386	0.00
14	B₁	991	955	0.16
15	B₁	893	861	0.39
16	B₁	719	694	90.74
17	B₁	661	637	16.11
18	B₁	424	409	6.43
19	B₂	3196	3082	20.98
20	B₂	3180	3067	5.79
21	B₂	1635	1577	1.87
22	B₂	1465	1412	4.73
23	B₂	1338	1290	0.32
24	B₂	1308	1262	0.07
25	B₂	1178	1136	0.16
26	B₂	1075	1036	4.42
27	B₂	598	577	0.63

Atom	y (Å)	z (Å)
C1	0.000	1.400
C2	1.228	0.773
C3	-1.228	0.773
C4	1.216	-0.633
C5	-1.216	-0.633
C6	0.000	-1.326
H7	2.164	1.325
H8	-2.164	1.325
H9	2.156	-1.179
H10	-2.156	-1.179
H11	0.000	-2.412

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3788	1.3788	2.3688	2.3688	2.7259	2.1650	2.1650	3.3612	3.3612	3.8119
C2	1.3788		2.4560	1.4064	2.8194	2.4319	1.0862	3.4363	2.1613	3.9065	3.4136
C3	1.3788	2.4560		2.8194	1.4064	2.4319	3.4363	1.0862	3.9065	2.1613	3.4136
C4	2.3688	1.4064	2.8194		2.4312	1.3991	2.1754	3.9055	1.0871	3.4153	2.1545
C5	2.3688	2.8194	1.4064	2.4312		1.3991	3.9055	2.1754	3.4153	1.0871	2.1545
C6	2.7259	2.4319	2.4319	1.3991	1.3991		3.4216	3.4216	2.1608	2.1608	1.0860
H7	2.1650	1.0862	3.4363	2.1754	3.9055	3.4216		4.3274	2.5037	4.9926	4.3179
H8	2.1650	3.4363	1.0862	3.9055	2.1754	3.4216	4.3274		4.9926	2.5037	4.3179
H9	3.3612	2.1613	3.9065	1.0871	3.4153	2.1608	2.5037	4.9926		4.3115	2.4835
H10	3.3612	3.9065	2.1613	3.4153	1.0871	2.1608	4.9926	2.5037	4.3115		2.4835
H11	3.8119	3.4136	3.4136	2.1545	2.1545	1.0860	4.3179	4.3179	2.4835	2.4835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.537	C1	C2	H7	122.436
C1	C3	C5	116.537	C1	C3	H8	122.436
C2	C1	C3	125.916	C2	C4	C6	120.182
C2	C4	H9	119.629	C3	C5	C6	120.182
C3	C5	H10	119.629	C4	C2	H7	121.027
C4	C6	C5	120.646	C4	C6	H11	119.677
C5	C3	H8	121.027	C5	C6	H11	119.677
C6	C4	H9	120.189	C6	C5	H10	120.189

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: B3LYP/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	ESP
1	C	-0.102	-0.116
2	C	-0.149	-0.038
3	C	-0.149	-0.038
4	C	-0.061	-0.158
5	C	-0.061	-0.158
6	C	-0.146	-0.064
7	H	0.141	0.111
8	H	0.141	0.111
9	H	0.129	0.123
10	H	0.129	0.123
11	H	0.128	0.105

<r²>	122.590
(<r²>)^1/2	11.072

All results from a given calculation for C6H5 (phenyl)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₆H₅ (phenyl)