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	hartrees
Energy at 0K	-231.663949
Energy at 298.15K	-231.656228
HF Energy	-230.573986
Nuclear repulsion energy	177.575499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3349	3155	0.00
2	A_g	3319	3127	0.00
3	A_g	2210	2083	0.00
4	A_g	1653	1558	0.00
5	A_g	1535	1446	0.00
6	A_g	1261	1188	0.00
7	A_g	1128	1062	0.00
8	A_g	1013	954	0.00
9	A_g	580	547	0.00
10	A_g	257	242	0.00
11	A_u	3395	3199	12.72
12	A_u	1122	1057	1.07
13	A_u	1018	959	37.25
14	A_u	537	505	2.83
15	A_u	389	367	12.29
16	A_u	83	78	0.20
17	B_g	3395	3199	0.00
18	B_g	1124	1059	0.00
19	B_g	1003	945	0.00
20	B_g	740	697	0.00
21	B_g	361	340	0.00
22	B_u	3355	3161	10.52
23	B_u	3319	3127	25.29
24	B_u	2216	2088	147.54
25	B_u	1606	1514	2.30
26	B_u	1388	1308	30.86
27	B_u	1200	1131	0.80
28	B_u	1013	955	111.93
29	B_u	599	565	27.63
30	B_u	134	127	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.331	0.653	0.000
C2	0.331	-0.653	0.000
C3	0.331	1.794	0.000
C4	-0.331	-1.794	0.000
C5	0.994	2.924	0.000
C6	-0.994	-2.924	0.000
H7	-1.420	0.663	0.000
H8	1.420	-0.663	0.000
H9	1.282	3.416	0.926
H10	1.282	3.416	-0.926
H11	-1.282	-3.416	0.926
H12	-1.282	-3.416	-0.926

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4641	1.3190	2.4471	2.6297	3.6385	1.0894	2.1902	3.3302	3.3302	4.2797	4.2797
C2	1.4641		2.4471	1.3190	3.6385	2.6297	2.1902	1.0894	4.2797	4.2797	3.3302	3.3302
C3	1.3190	2.4471		3.6486	1.3107	4.9011	2.0848	2.6873	2.0956	2.0956	5.5317	5.5317
C4	2.4471	1.3190	3.6486		4.9011	1.3107	2.6873	2.0848	5.5317	5.5317	2.0956	2.0956
C5	2.6297	3.6385	1.3107	4.9011		6.1777	3.3084	3.6122	1.0870	1.0870	6.7996	6.7996
C6	3.6385	2.6297	4.9011	1.3107	6.1777		3.6122	3.3084	6.7996	6.7996	1.0870	1.0870
H7	1.0894	2.1902	2.0848	2.6873	3.3084	3.6122		3.1343	3.9672	3.9672	4.1843	4.1843
H8	2.1902	1.0894	2.6873	2.0848	3.6122	3.3084	3.1343		4.1843	4.1843	3.9672	3.9672
H9	3.3302	4.2797	2.0956	5.5317	1.0870	6.7996	3.9672	4.1843		1.8520	7.2965	7.5279
H10	3.3302	4.2797	2.0956	5.5317	1.0870	6.7996	3.9672	4.1843	1.8520		7.5279	7.2965
H11	4.2797	3.3302	5.5317	2.0956	6.7996	1.0870	4.1843	3.9672	7.2965	7.5279		1.8520
H12	4.2797	3.3302	5.5317	2.0956	6.7996	1.0870	4.1843	3.9672	7.5279	7.2965	1.8520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.587	C1	C2	H8	117.371
C1	C3	C5	179.945	C2	C1	C3	123.587
C2	C1	H7	117.371	C2	C4	C6	179.945
C3	C1	H7	119.043	C3	C5	H9	121.303
C3	C5	H10	121.303	C4	C2	H8	119.043
C4	C6	H11	121.303	C4	C6	H12	121.303
H9	C5	H10	117.393	H11	C6	H12	117.393

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

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

using model chemistry: G2

States and conformations

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