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	hartrees
Energy at 0K	-229.234444
Energy at 298.15K	-229.239611
HF Energy	-228.781435
Nuclear repulsion energy	195.730273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3099	0.58
2	A₁	3234	3087	9.29
3	A₁	3207	3061	0.08
4	A₁	1701	1623	0.80
5	A₁	1569	1498	20.37
6	A₁	1277	1219	0.00
7	A₁	1118	1067	9.75
8	A₁	1060	1012	0.47
9	A₁	1026	979	0.24
10	A₁	683	652	1.06
11	A₂	1093	1043	0.00
12	A₂	957	913	0.00
13	A₂	472	451	0.00
14	B₁	1087	1038	0.12
15	B₁	1016	970	1.97
16	B₁	819	782	70.60
17	B₁	775	740	51.78
18	B₁	496	473	5.42
19	B₂	3242	3095	7.56
20	B₂	3216	3070	6.53
21	B₂	1748	1669	5.79
22	B₂	1552	1481	10.00
23	B₂	1400	1336	0.03
24	B₂	1293	1234	0.34
25	B₂	1181	1127	2.44
26	B₂	1104	1054	2.76
27	B₂	666	636	0.33

Atom	y (Å)	z (Å)
C1	0.000	1.397
C2	1.214	0.761
C3	-1.214	0.761
C4	1.202	-0.626
C5	-1.202	-0.626
C6	0.000	-1.314
H7	2.148	1.313
H8	-2.148	1.313
H9	2.141	-1.172
H10	-2.141	-1.172
H11	0.000	-2.400

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3708	1.3708	2.3537	2.3537	2.7116	2.1495	2.1495	3.3445	3.3445	3.7969
C2	1.3708		2.4287	1.3875	2.7865	2.4047	1.0843	3.4071	2.1438	3.8726	3.3861
C3	1.3708	2.4287		2.7865	1.3875	2.4047	3.4071	1.0843	3.8726	2.1438	3.3861
C4	2.3537	1.3875	2.7865		2.4044	1.3852	2.1574	3.8708	1.0861	3.3878	2.1425
C5	2.3537	2.7865	1.3875	2.4044		1.3852	3.8708	2.1574	3.3878	1.0861	2.1425
C6	2.7116	2.4047	2.4047	1.3852	1.3852		3.3934	3.3934	2.1461	2.1461	1.0853
H7	2.1495	1.0843	3.4071	2.1574	3.8708	3.3934		4.2957	2.4846	4.9569	4.2890
H8	2.1495	3.4071	1.0843	3.8708	2.1574	3.3934	4.2957		4.9569	2.4846	4.2890
H9	3.3445	2.1438	3.8726	1.0861	3.3878	2.1461	2.4846	4.9569		4.2827	2.4684
H10	3.3445	3.8726	2.1438	3.3878	1.0861	2.1461	4.9569	2.4846	4.2827		2.4684
H11	3.7969	3.3861	3.3861	2.1425	2.1425	1.0853	4.2890	4.2890	2.4684	2.4684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	117.145	C1	C2	H7	121.774
C1	C3	C5	117.145	C1	C3	H8	121.774
C2	C1	C3	124.709	C2	C4	C6	120.285
C2	C4	H9	119.652	C3	C5	C6	120.285
C3	C5	H10	119.652	C4	C2	H7	121.081
C4	C6	C5	120.430	C4	C6	H11	119.785
C5	C3	H8	121.081	C5	C6	H11	119.785
C6	C4	H9	120.063	C6	C5	H10	120.063

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₆H₅ (phenyl)