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	hartrees
Energy at 0K	-230.788443
Energy at 298.15K	-230.793578
HF Energy	-230.079570
Nuclear repulsion energy	196.185002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3111	2.51
2	A₁	3260	3105	5.57
3	A₁	3228	3075	0.33
4	A₁	1820	1734	3.10
5	A₁	1564	1490	12.13
6	A₁	1215	1158	0.12
7	A₁	1117	1064	18.02
8	A₁	1077	1026	0.13
9	A₁	973	927	0.36
10	A₁	643	612	1.61
11	A₂	1142	1087	0.00
12	A₂	978	932	0.00
13	A₂	471	448	0.00
14	B₁	1146	1092	0.36
15	B₁	1045	996	0.79
16	B₁	821	782	83.07
17	B₁	771	734	10.85
18	B₁	493	470	6.15
19	B₂	3265	3110	5.24
20	B₂	3238	3084	7.76
21	B₂	1874	1785	7.95
22	B₂	1556	1482	7.00
23	B₂	1338	1274	0.42
24	B₂	1247	1188	0.05
25	B₂	1174	1119	3.21
26	B₂	1099	1047	6.73
27	B₂	622	592	0.73

Atom	y (Å)	z (Å)
C1	0.000	1.384
C2	1.215	0.760
C3	-1.215	0.760
C4	1.197	-0.622
C5	-1.197	-0.622
C6	0.000	-1.308
H7	2.155	1.318
H8	-2.155	1.318
H9	2.143	-1.174
H10	-2.143	-1.174
H11	0.000	-2.402

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3652	1.3652	2.3354	2.3354	2.6917	2.1565	2.1565	3.3366	3.3366	3.7854
C2	1.3652		2.4295	1.3824	2.7798	2.3989	1.0934	3.4160	2.1454	3.8751	3.3876
C3	1.3652	2.4295		2.7798	1.3824	2.3989	3.4160	1.0934	3.8751	2.1454	3.3876
C4	2.3354	1.3824	2.7798		2.3940	1.3798	2.1634	3.8731	1.0954	3.3855	2.1451
C5	2.3354	2.7798	1.3824	2.3940		1.3798	3.8731	2.1634	3.3855	1.0954	2.1451
C6	2.6917	2.3989	2.3989	1.3798	1.3798		3.3972	3.3972	2.1474	2.1474	1.0937
H7	2.1565	1.0934	3.4160	2.1634	3.8731	3.3972		4.3109	2.4914	4.9684	4.2990
H8	2.1565	3.4160	1.0934	3.8731	2.1634	3.3972	4.3109		4.9684	2.4914	4.2990
H9	3.3366	2.1454	3.8751	1.0954	3.3855	2.1474	2.4914	4.9684		4.2865	2.4702
H10	3.3366	3.8751	2.1454	3.3855	1.0954	2.1474	4.9684	2.4914	4.2865		2.4702
H11	3.7854	3.3876	3.3876	2.1451	2.1451	1.0937	4.2990	4.2990	2.4702	2.4702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.420	C1	C2	H7	122.202
C1	C3	C5	116.420	C1	C3	H8	122.202
C2	C1	C3	125.688	C2	C4	C6	120.567
C2	C4	H9	119.514	C3	C5	C6	120.567
C3	C5	H10	119.514	C4	C2	H7	121.377
C4	C6	C5	120.339	C4	C6	H11	119.831
C5	C3	H8	121.377	C5	C6	H11	119.831
C6	C4	H9	119.920	C6	C5	H10	119.920

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₅ (phenyl)