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	hartrees
Energy at 0K	-230.834024
Energy at 298.15K	-230.839061
HF Energy	-230.075642
Nuclear repulsion energy	197.546357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3100	1.33
2	A₁	3295	3094	6.00
3	A₁	3265	3066	0.31
4	A₁	1838	1726	6.14
5	A₁	1588	1492	9.20
6	A₁	1247	1172	0.04
7	A₁	1138	1069	21.06
8	A₁	1095	1028	0.00
9	A₁	984	924	0.08
10	A₁	655	615	1.31
11	A₂	1114	1046	0.00
12	A₂	976	916	0.00
13	A₂	458	430	0.00
14	B₁	1084	1018	0.06
15	B₁	1027	965	0.74
16	B₁	811	762	141.65
17	B₁	611	574	0.53
18	B₁	478	449	7.72
19	B₂	3300	3099	4.35
20	B₂	3273	3074	8.04
21	B₂	1895	1780	9.09
22	B₂	1577	1481	3.67
23	B₂	1372	1289	0.68
24	B₂	1274	1196	0.06
25	B₂	1196	1124	4.44
26	B₂	1120	1051	7.60
27	B₂	632	594	0.80

Atom	y (Å)	z (Å)
C1	0.000	1.373
C2	1.207	0.756
C3	-1.207	0.756
C4	1.190	-0.618
C5	-1.190	-0.618
C6	0.000	-1.301
H7	2.136	1.308
H8	-2.136	1.308
H9	2.125	-1.162
H10	-2.125	-1.162
H11	0.000	-2.382

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3553	1.3553	2.3197	2.3197	2.6745	2.1369	2.1369	3.3084	3.3084	3.7552
C2	1.3553		2.4138	1.3747	2.7629	2.3857	1.0802	3.3879	2.1273	3.8452	3.3626
C3	1.3553	2.4138		2.7629	1.3747	2.3857	3.3879	1.0802	3.8452	2.1273	3.3626
C4	2.3197	1.3747	2.7629		2.3796	1.3720	2.1457	3.8431	1.0823	3.3595	2.1277
C5	2.3197	2.7629	1.3747	2.3796		1.3720	3.8431	2.1457	3.3595	1.0823	2.1277
C6	2.6745	2.3857	2.3857	1.3720	1.3720		3.3719	3.3719	2.1298	2.1298	1.0807
H7	2.1369	1.0802	3.3879	2.1457	3.8431	3.3719		4.2718	2.4702	4.9254	4.2634
H8	2.1369	3.3879	1.0802	3.8431	2.1457	3.3719	4.2718		4.9254	2.4702	4.2634
H9	3.3084	2.1273	3.8452	1.0823	3.3595	2.1298	2.4702	4.9254		4.2505	2.4504
H10	3.3084	3.8452	2.1273	3.3595	1.0823	2.1298	4.9254	2.4702	4.2505		2.4504
H11	3.7552	3.3626	3.3626	2.1277	2.1277	1.0807	4.2634	4.2634	2.4504	2.4504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.353	C1	C2	H7	122.252
C1	C3	C5	116.353	C1	C3	H8	122.252
C2	C1	C3	125.871	C2	C4	C6	120.577
C2	C4	H9	119.482	C3	C5	C6	120.577
C3	C5	H10	119.482	C4	C2	H7	121.395
C4	C6	C5	120.269	C4	C6	H11	119.866
C5	C3	H8	121.395	C5	C6	H11	119.866
C6	C4	H9	119.941	C6	C5	H10	119.941

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H5 (phenyl)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₅ (phenyl)