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	hartrees
Energy at 0K	-36.716592
Energy at 298.15K	-36.720488
HF Energy	-36.195888
Nuclear repulsion energy	88.001210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3102	3028	0.00
2	A_g	3078	3004	0.00
3	A_g	1931	1884	0.00
4	A_g	1506	1470	0.00
5	A_g	1408	1374	0.00
6	A_g	1166	1138	0.00
7	A_g	1015	991	0.00
8	A_g	913	891	0.00
9	A_g	518	505	0.00
10	A_g	219	214	0.00
11	A_u	3177	3101	21.36
12	A_u	1057	1031	0.13
13	A_u	891	870	40.74
14	A_u	478	467	3.82
15	A_u	328	320	22.60
16	A_u	73	72	0.22
17	B_g	3177	3101	0.00
18	B_g	1059	1034	0.00
19	B_g	912	890	0.00
20	B_g	678	662	0.00
21	B_g	311	304	0.00
22	B_u	3109	3034	14.95
23	B_u	3079	3005	29.50
24	B_u	1942	1895	32.33
25	B_u	1494	1458	0.22
26	B_u	1286	1255	4.64
27	B_u	1051	1026	3.33
28	B_u	914	892	135.86
29	B_u	518	506	28.67
30	B_u	115	112	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.340	0.669	0.000
C2	0.340	-0.669	0.000
C3	0.340	1.834	0.000
C4	-0.340	-1.834	0.000
C5	1.018	2.993	0.000
C6	-1.018	-2.993	0.000
H7	-1.437	0.677	0.000
H8	1.437	-0.677	0.000
H9	1.306	3.484	0.935
H10	1.306	3.484	-0.935
H11	-1.306	-3.484	0.935
H12	-1.306	-3.484	-0.935

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.5003	1.3490	2.5032	2.6916	3.7240	1.0970	2.2284	3.3921	3.3921	4.3650	4.3650
C2	1.5003		2.5032	1.3490	3.7240	2.6916	2.2284	1.0970	4.3650	4.3650	3.3921	3.3921
C3	1.3490	2.5032		3.7310	1.3426	5.0145	2.1202	2.7402	2.1281	2.1281	5.6450	5.6450
C4	2.5032	1.3490	3.7310		5.0145	1.3426	2.7402	2.1202	5.6450	5.6450	2.1281	2.1281
C5	2.6916	3.7240	1.3426	5.0145		6.3225	3.3750	3.6932	1.0946	1.0946	6.9443	6.9443
C6	3.7240	2.6916	5.0145	1.3426	6.3225		3.6932	3.3750	6.9443	6.9443	1.0946	1.0946
H7	1.0970	2.2284	2.1202	2.7402	3.3750	3.6932		3.1760	4.0342	4.0342	4.2665	4.2665
H8	2.2284	1.0970	2.7402	2.1202	3.6932	3.3750	3.1760		4.2665	4.2665	4.0342	4.0342
H9	3.3921	4.3650	2.1281	5.6450	1.0946	6.9443	4.0342	4.2665		1.8700	7.4412	7.6726
H10	3.3921	4.3650	2.1281	5.6450	1.0946	6.9443	4.0342	4.2665	1.8700		7.6726	7.4412
H11	4.3650	3.3921	5.6450	2.1281	6.9443	1.0946	4.2665	4.0342	7.4412	7.6726		1.8700
H12	4.3650	3.3921	5.6450	2.1281	6.9443	1.0946	4.2665	4.0342	7.6726	7.4412	1.8700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.842	C1	C2	H8	117.332
C1	C3	C5	179.870	C2	C1	C3	122.842
C2	C1	H7	117.332	C2	C4	C6	179.870
C3	C1	H7	119.826	C3	C5	H9	121.326
C3	C5	H10	121.326	C4	C2	H8	119.826
C4	C6	H11	121.326	C4	C6	H12	121.326
H9	C5	H10	117.347	H11	C6	H12	117.347

All results from a given calculation for C₆H₆ (1,2,4,5-Hexatetraene)

using model chemistry: MP2/CEP-121G

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 C6H6 (1,2,4,5-Hexatetraene)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₆H₆ (1,2,4,5-Hexatetraene)