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	hartrees
Energy at 0K	-36.064686
Energy at 298.15K	-36.069620
HF Energy	-35.683894
Nuclear repulsion energy	94.928694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3127	5.64
2	A₁	3216	3108	27.58
3	A₁	3173	3066	0.14
4	A₁	1646	1590	1.22
5	A₁	1506	1456	16.79
6	A₁	1217	1176	0.00
7	A₁	1081	1045	14.96
8	A₁	1000	967	0.01
9	A₁	969	936	0.07
10	A₁	628	607	0.44
11	A₂	1031	996	0.00
12	A₂	928	897	0.00
13	A₂	441	426	0.00
14	B₁	1013	979	0.06
15	B₁	975	942	0.82
16	B₁	806	779	167.06
17	B₁	699	675	6.54
18	B₁	463	448	5.53
19	B₂	3231	3122	37.80
20	B₂	3191	3084	10.92
21	B₂	1688	1631	3.06
22	B₂	1491	1440	8.32
23	B₂	1340	1295	0.00
24	B₂	1273	1230	0.06
25	B₂	1193	1152	0.00
26	B₂	1117	1079	9.32
27	B₂	614	593	0.57

Atom	y (Å)	z (Å)
C1	0.000	1.439
C2	1.252	0.781
C3	-1.252	0.781
C4	1.237	-0.644
C5	-1.237	-0.644
C6	0.000	-1.351
H7	2.196	1.340
H8	-2.196	1.340
H9	2.186	-1.198
H10	-2.186	-1.198
H11	0.000	-2.449

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4145	1.4145	2.4230	2.4230	2.7900	2.1981	2.1981	3.4255	3.4255	3.8882
C2	1.4145		2.5040	1.4254	2.8680	2.4721	1.0968	3.4928	2.1882	3.9671	3.4640
C3	1.4145	2.5040		2.8680	1.4254	2.4721	3.4928	1.0968	3.9671	2.1882	3.4640
C4	2.4230	1.4254	2.8680		2.4734	1.4242	2.2037	3.9647	1.0991	3.4675	2.1877
C5	2.4230	2.8680	1.4254	2.4734		1.4242	3.9647	2.2037	3.4675	1.0991	2.1877
C6	2.7900	2.4721	2.4721	1.4242	1.4242		3.4728	3.4728	2.1917	2.1917	1.0982
H7	2.1981	1.0968	3.4928	2.2037	3.9647	3.4728		4.3917	2.5375	5.0638	4.3789
H8	2.1981	3.4928	1.0968	3.9647	2.2037	3.4728	4.3917		5.0638	2.5375	4.3789
H9	3.4255	2.1882	3.9671	1.0991	3.4675	2.1917	2.5375	5.0638		4.3727	2.5190
H10	3.4255	3.9671	2.1882	3.4675	1.0991	2.1917	5.0638	2.5375	4.3727		2.5190
H11	3.8882	3.4640	3.4640	2.1877	2.1877	1.0982	4.3789	4.3789	2.5190	2.5190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	117.123	C1	C2	H7	121.637
C1	C3	C5	117.123	C1	C3	H8	121.637
C2	C1	C3	124.526	C2	C4	C6	120.347
C2	C4	H9	119.618	C3	C5	C6	120.347
C3	C5	H10	119.618	C4	C2	H7	121.240
C4	C6	C5	120.533	C4	C6	H11	119.733
C5	C3	H8	121.240	C5	C6	H11	119.733
C6	C4	H9	120.035	C6	C5	H10	120.035

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

All results from a given calculation for C₆H₅ (phenyl)