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	hartrees
Energy at 0K	-231.453207
Energy at 298.15K	-231.457779
HF Energy	-231.453207
Nuclear repulsion energy	192.828410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	3094	14.22
2	A₁	3106	3081	10.39
3	A₁	3086	3061	2.51
4	A₁	1530	1518	0.52
5	A₁	1441	1429	4.88
6	A₁	1155	1146	0.16
7	A₁	1029	1021	5.81
8	A₁	990	982	0.07
9	A₁	958	951	2.14
10	A₁	603	598	2.34
11	A₂	912	905	0.00
12	A₂	779	772	0.00
13	A₂	387	384	0.00
14	B₁	943	935	0.25
15	B₁	855	848	0.18
16	B₁	697	692	52.75
17	B₁	646	640	7.11
18	B₁	414	411	4.05
19	B₂	3108	3083	38.14
20	B₂	3092	3067	7.41
21	B₂	1583	1571	1.45
22	B₂	1434	1422	4.52
23	B₂	1314	1303	0.41
24	B₂	1281	1270	0.30
25	B₂	1158	1148	0.33
26	B₂	1049	1041	2.33
27	B₂	584	579	0.53

Atom	y (Å)	z (Å)
C1	0.000	1.404
C2	1.236	0.781
C3	-1.236	0.781
C4	1.224	-0.638
C5	-1.224	-0.638
C6	0.000	-1.333
H7	2.176	1.340
H8	-2.176	1.340
H9	2.169	-1.193
H10	-2.169	-1.193
H11	0.000	-2.428

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3842	1.3842	2.3809	2.3809	2.7376	2.1774	2.1774	3.3837	3.3837	3.8321
C2	1.3842		2.4717	1.4190	2.8395	2.4490	1.0943	3.4578	2.1834	3.9354	3.4385
C3	1.3842	2.4717		2.8395	1.4190	2.4490	3.4578	1.0943	3.9354	2.1834	3.4385
C4	2.3809	1.4190	2.8395		2.4474	1.4074	2.1956	3.9337	1.0959	3.4374	2.1681
C5	2.3809	2.8395	1.4190	2.4474		1.4074	3.9337	2.1956	3.4374	1.0959	2.1681
C6	2.7376	2.4490	2.4490	1.4074	1.4074		3.4473	3.4473	2.1731	2.1731	1.0944
H7	2.1774	1.0943	3.4578	2.1956	3.9337	3.4473		4.3530	2.5332	5.0296	4.3512
H8	2.1774	3.4578	1.0943	3.9337	2.1956	3.4473	4.3530		5.0296	2.5332	4.3512
H9	3.3837	2.1834	3.9354	1.0959	3.4374	2.1731	2.5332	5.0296		4.3371	2.4954
H10	3.3837	3.9354	2.1834	3.4374	1.0959	2.1731	5.0296	2.5332	4.3371		2.4954
H11	3.8321	3.4385	3.4385	2.1681	2.1681	1.0944	4.3512	4.3512	2.4954	2.4954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.277	C1	C2	H7	122.507
C1	C3	C5	116.277	C1	C3	H8	122.507
C2	C1	C3	126.465	C2	C4	C6	120.096
C2	C4	H9	119.944	C3	C5	C6	120.096
C3	C5	H10	119.944	C4	C2	H7	121.216
C4	C6	C5	120.790	C4	C6	H11	119.605
C5	C3	H8	121.216	C5	C6	H11	119.605
C6	C4	H9	119.961	C6	C5	H10	119.961

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: BLYP/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	0.013
2	C	-0.140
3	C	-0.140
4	C	-0.094
5	C	-0.094
6	C	-0.099
7	H	0.118
8	H	0.118
9	H	0.107
10	H	0.107
11	H	0.106

<r²>	123.171
(<r²>)^1/2	11.098

All results from a given calculation for C6H5 (phenyl)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₆H₅ (phenyl)