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	hartrees
Energy at 0K	-230.818202
Energy at 298.15K	-230.823328
HF Energy	-230.068458
Nuclear repulsion energy	197.781038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3086	1.38
2	A₁	3297	3081	9.54
3	A₁	3267	3053	0.55
4	A₁	1845	1724	2.76
5	A₁	1600	1495	12.94
6	A₁	1252	1170	0.05
7	A₁	1143	1068	14.52
8	A₁	1091	1019	0.02
9	A₁	988	923	0.50
10	A₁	658	614	1.75
11	A₂	1124	1050	0.00
12	A₂	985	920	0.00
13	A₂	470	440	0.00
14	B₁	1108	1035	0.18
15	B₁	1039	971	0.70
16	B₁	823	769	86.57
17	B₁	721	674	1.04
18	B₁	494	462	5.08
19	B₂	3302	3086	8.12
20	B₂	3276	3061	9.79
21	B₂	1900	1775	8.09
22	B₂	1587	1483	7.55
23	B₂	1376	1286	0.26
24	B₂	1277	1193	0.07
25	B₂	1200	1122	2.52
26	B₂	1122	1049	5.85
27	B₂	635	593	0.64

Atom	y (Å)	z (Å)
C1	0.000	1.373
C2	1.205	0.755
C3	-1.205	0.755
C4	1.188	-0.617
C5	-1.188	-0.617
C6	0.000	-1.299
H7	2.134	1.306
H8	-2.134	1.306
H9	2.123	-1.162
H10	-2.123	-1.162
H11	0.000	-2.380

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3544	1.3544	2.3184	2.3184	2.6728	2.1349	2.1349	3.3069	3.3069	3.7531
C2	1.3544		2.4098	1.3724	2.7585	2.3815	1.0800	3.3839	2.1254	3.8404	3.3582
C3	1.3544	2.4098		2.7585	1.3724	2.3815	3.3839	1.0800	3.8404	2.1254	3.3582
C4	2.3184	1.3724	2.7585		2.3762	1.3699	2.1430	3.8384	1.0819	3.3556	2.1254
C5	2.3184	2.7585	1.3724	2.3762		1.3699	3.8384	2.1430	3.3556	1.0819	2.1254
C6	2.6728	2.3815	2.3815	1.3699	1.3699		3.3674	3.3674	2.1274	2.1274	1.0804
H7	2.1349	1.0800	3.3839	2.1430	3.8384	3.3674		4.2677	2.4677	4.9203	4.2585
H8	2.1349	3.3839	1.0800	3.8384	2.1430	3.3674	4.2677		4.9203	2.4677	4.2585
H9	3.3069	2.1254	3.8404	1.0819	3.3556	2.1274	2.4677	4.9203		4.2459	2.4474
H10	3.3069	3.8404	2.1254	3.3556	1.0819	2.1274	4.9203	2.4677	4.2459		2.4474
H11	3.7531	3.3582	3.3582	2.1254	2.1254	1.0804	4.2585	4.2585	2.4474	2.4474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.474	C1	C2	H7	122.165
C1	C3	C5	116.474	C1	C3	H8	122.165
C2	C1	C3	125.651	C2	C4	C6	120.556
C2	C4	H9	119.526	C3	C5	C6	120.556
C3	C5	H10	119.526	C4	C2	H7	121.361
C4	C6	C5	120.288	C4	C6	H11	119.856
C5	C3	H8	121.361	C5	C6	H11	119.856
C6	C4	H9	119.918	C6	C5	H10	119.918

All results from a given calculation for C₆H₅ (phenyl)

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

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=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₅ (phenyl)