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	hartrees
Energy at 0K	-229.244362
Energy at 298.15K	-229.249519
HF Energy	-228.781399
Nuclear repulsion energy	195.767213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3078	0.48
2	A₁	3235	3066	9.29
3	A₁	3207	3040	0.08
4	A₁	1702	1613	0.81
5	A₁	1570	1488	20.42
6	A₁	1277	1211	0.00
7	A₁	1119	1060	9.81
8	A₁	1060	1005	0.46
9	A₁	1026	973	0.25
10	A₁	683	648	1.07
11	A₂	1094	1037	0.00
12	A₂	958	908	0.00
13	A₂	472	448	0.00
14	B₁	1089	1032	0.11
15	B₁	1017	964	1.95
16	B₁	820	777	71.56
17	B₁	775	735	50.88
18	B₁	496	471	5.43
19	B₂	3243	3074	7.29
20	B₂	3216	3049	6.65
21	B₂	1749	1658	5.82
22	B₂	1553	1472	10.03
23	B₂	1400	1327	0.03
24	B₂	1293	1226	0.33
25	B₂	1181	1120	2.47
26	B₂	1104	1046	2.76
27	B₂	666	631	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	2.147	1.313
H8	-2.147	1.313
H9	2.141	-1.172
H10	-2.141	-1.172
H11	0.000	-2.399

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3705	1.3705	2.3532	2.3532	2.7109	2.1491	2.1491	3.3439	3.3439	3.7961
C2	1.3705		2.4282	1.3872	2.7860	2.4041	1.0841	3.4065	2.1434	3.8721	3.3854
C3	1.3705	2.4282		2.7860	1.3872	2.4041	3.4065	1.0841	3.8721	2.1434	3.3854
C4	2.3532	1.3872	2.7860		2.4041	1.3850	2.1569	3.8701	1.0860	3.3874	2.1422
C5	2.3532	2.7860	1.3872	2.4041		1.3850	3.8701	2.1569	3.3874	1.0860	2.1422
C6	2.7109	2.4041	2.4041	1.3850	1.3850		3.3927	3.3927	2.1459	2.1459	1.0852
H7	2.1491	1.0841	3.4065	2.1569	3.8701	3.3927		4.2949	2.4842	4.9562	4.2882
H8	2.1491	3.4065	1.0841	3.8701	2.1569	3.3927	4.2949		4.9562	2.4842	4.2882
H9	3.3439	2.1434	3.8721	1.0860	3.3874	2.1459	2.4842	4.9562		4.2823	2.4681
H10	3.3439	3.8721	2.1434	3.3874	1.0860	2.1459	4.9562	2.4842	4.2823		2.4681
H11	3.7961	3.3854	3.3854	2.1422	2.1422	1.0852	4.2882	4.2882	2.4681	2.4681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	117.143	C1	C2	H7	121.778
C1	C3	C5	117.143	C1	C3	H8	121.778
C2	C1	C3	124.717	C2	C4	C6	120.280
C2	C4	H9	119.651	C3	C5	C6	120.280
C3	C5	H10	119.651	C4	C2	H7	121.079
C4	C6	C5	120.436	C4	C6	H11	119.782
C5	C3	H8	121.079	C5	C6	H11	119.782
C6	C4	H9	120.069	C6	C5	H10	120.069

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

All results from a given calculation for C₆H₅ (phenyl)