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	hartrees
Energy at 0K	-230.059865
Energy at 298.15K	-230.064976
Nuclear repulsion energy	195.702052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3375	2884	3.07
2	A₁	3362	2873	26.05
3	A₁	3338	2852	0.18
4	A₁	1755	1500	0.19
5	A₁	1622	1387	12.30
6	A₁	1271	1086	0.00
7	A₁	1128	964	6.30
8	A₁	1089	931	0.00
9	A₁	1072	916	1.14
10	A₁	663	567	0.98
11	A₂	1094	935	0.00
12	A₂	938	802	0.00
13	A₂	450	385	0.00
14	B₁	1119	956	0.16
15	B₁	1002	856	1.00
16	B₁	804	687	74.98
17	B₁	747	638	17.22
18	B₁	471	402	4.14
19	B₂	3370	2880	29.94
20	B₂	3348	2861	9.93
21	B₂	1786	1527	3.06
22	B₂	1590	1359	7.91
23	B₂	1424	1217	0.19
24	B₂	1338	1143	0.00
25	B₂	1215	1038	0.13
26	B₂	1147	980	3.25
27	B₂	653	558	0.49

Atom	y (Å)	z (Å)
C1	0.000	1.396
C2	1.217	0.763
C3	-1.217	0.763
C4	1.205	-0.627
C5	-1.205	-0.627
C6	0.000	-1.316
H7	2.140	1.313
H8	-2.140	1.313
H9	2.133	-1.171
H10	-2.133	-1.171
H11	0.000	-2.391

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3723	1.3723	2.3553	2.3553	2.7120	2.1420	2.1420	3.3382	3.3382	3.7876
C2	1.3723		2.4343	1.3901	2.7924	2.4084	1.0749	3.4024	2.1399	3.8685	3.3805
C3	1.3723	2.4343		2.7924	1.3901	2.4084	3.4024	1.0749	3.8685	2.1399	3.3805
C4	2.3553	1.3901	2.7924		2.4094	1.3874	2.1543	3.8672	1.0762	3.3821	2.1359
C5	2.3553	2.7924	1.3901	2.4094		1.3874	3.8672	2.1543	3.3821	1.0762	2.1359
C6	2.7120	2.4084	2.4084	1.3874	1.3874		3.3898	3.3898	2.1383	2.1383	1.0756
H7	2.1420	1.0749	3.4024	2.1543	3.8672	3.3898		4.2808	2.4842	4.9433	4.2781
H8	2.1420	3.4024	1.0749	3.8672	2.1543	3.3898	4.2808		4.9433	2.4842	4.2781
H9	3.3382	2.1399	3.8685	1.0762	3.3821	2.1383	2.4842	4.9433		4.2668	2.4576
H10	3.3382	3.8685	2.1399	3.3821	1.0762	2.1383	4.9433	2.4842	4.2668		2.4576
H11	3.7876	3.3805	3.3805	2.1359	2.1359	1.0756	4.2781	4.2781	2.4576	2.4576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.994	C1	C2	H7	121.690
C1	C3	C5	116.994	C1	C3	H8	121.690
C2	C1	C3	124.986	C2	C4	C6	120.249
C2	C4	H9	119.834	C3	C5	C6	120.249
C3	C5	H10	119.834	C4	C2	H7	121.317
C4	C6	C5	120.529	C4	C6	H11	119.736
C5	C3	H8	121.317	C5	C6	H11	119.736
C6	C4	H9	119.917	C6	C5	H10	119.917

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	0.002
2	C	-0.171
3	C	-0.171
4	C	-0.139
5	C	-0.139
6	C	-0.153
7	H	0.158
8	H	0.158
9	H	0.152
10	H	0.152
11	H	0.150

<r²>	120.354
(<r²>)^1/2	10.971

All results from a given calculation for C6H5 (phenyl)

using model chemistry: ROHF/6-31G**

States and conformations

All results from a given calculation for C₆H₅ (phenyl)