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	hartrees
Energy at 0K	-231.097037
Energy at 298.15K	-231.091408
Nuclear repulsion energy	194.026311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3386	3190	6.74
2	A₁	3373	3178	28.60
3	A₁	3354	3160	0.09
4	A₁	1639	1544	0.69
5	A₁	1582	1491	8.16
6	A₁	1234	1163	0.04
7	A₁	1089	1026	1.47
8	A₁	1061	999	2.16
9	A₁	990	933	0.18
10	A₁	640	603	0.74
11	A₂	1001	943	0.00
12	A₂	850	801	0.00
13	A₂	404	381	0.00
14	B₁	1030	971	0.00
15	B₁	920	867	0.75
16	B₁	756	712	77.05
17	B₁	686	646	14.01
18	B₁	436	411	2.46
19	B₂	3380	3185	44.99
20	B₂	3362	3168	5.05
21	B₂	1666	1570	0.79
22	B₂	1559	1469	5.78
23	B₂	1401	1320	1.02
24	B₂	1393	1312	0.06
25	B₂	1243	1171	0.17
26	B₂	1119	1054	0.58
27	B₂	637	600	0.30

Atom	y (Å)	z (Å)
C1	0.000	1.373
C2	1.205	0.755
C3	-1.205	0.755
C4	1.189	-0.617
C5	-1.189	-0.617
C6	0.000	-1.300
H7	2.139	1.309
H8	-2.139	1.309
H9	2.128	-1.165
H10	-2.128	-1.165
H11	0.000	-2.385

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3545	1.3545	2.3186	2.3186	2.6729	2.1395	2.1395	3.3121	3.3121	3.7586
C2	1.3545		2.4106	1.3729	2.7597	2.3823	1.0853	3.3895	2.1302	3.8468	3.3640
C3	1.3545	2.4106		2.7597	1.3729	2.3823	3.3895	1.0853	3.8468	2.1302	3.3640
C4	2.3186	1.3729	2.7597		2.3774	1.3705	2.1482	3.8449	1.0872	3.3617	2.1303
C5	2.3186	2.7597	1.3729	2.3774		1.3705	3.8449	2.1482	3.3617	1.0872	2.1303
C6	2.6729	2.3823	2.3823	1.3705	1.3705		3.3734	3.3734	2.1324	2.1324	1.0857
H7	2.1395	1.0853	3.3895	2.1482	3.8449	3.3734		4.2772	2.4740	4.9321	4.2690
H8	2.1395	3.3895	1.0853	3.8449	2.1482	3.3734	4.2772		4.9321	2.4740	4.2690
H9	3.3121	2.1302	3.8468	1.0872	3.3617	2.1324	2.4740	4.9321		4.2563	2.4534
H10	3.3121	3.8468	2.1302	3.3617	1.0872	2.1324	4.9321	2.4740	4.2563		2.4534
H11	3.7586	3.3640	3.3640	2.1303	2.1303	1.0857	4.2690	4.2690	2.4534	2.4534

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for C₆H₅ (phenyl)