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	hartrees
Energy at 0K	-231.509676
Energy at 298.15K	-231.513595
HF Energy	-230.615814
Nuclear repulsion energy	176.055092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3182	3014	0.00
2	A_g	3163	2996	0.00
3	A_g	2023	1916	0.00
4	A_g	1514	1434	0.00
5	A_g	1415	1340	0.00
6	A_g	1183	1120	0.00
7	A_g	1045	990	0.00
8	A_g	869	823	0.00
9	A_g	540	512	0.00
10	A_g	228	216	0.00
11	A_u	3251	3079	3.34
12	A_u	1028	974	0.04
13	A_u	917	868	40.17
14	A_u	485	460	5.68
15	A_u	339	321	13.45
16	A_u	77	73	0.51
17	B_g	3251	3079	0.00
18	B_g	1030	976	0.00
19	B_g	891	844	0.00
20	B_g	679	643	0.00
21	B_g	313	296	0.00
22	B_u	3190	3021	4.97
23	B_u	3164	2996	9.95
24	B_u	2039	1932	43.24
25	B_u	1480	1402	0.47
26	B_u	1281	1213	5.32
27	B_u	1100	1042	1.80
28	B_u	870	824	116.86
29	B_u	543	514	26.80
30	B_u	121	114	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.331	0.654	0.000
C2	0.331	-0.654	0.000
C3	0.331	1.795	0.000
C4	-0.331	-1.795	0.000
C5	0.998	2.925	0.000
C6	-0.998	-2.925	0.000
H7	-1.420	0.666	0.000
H8	1.420	-0.666	0.000
H9	1.284	3.412	0.928
H10	1.284	3.412	-0.928
H11	-1.284	-3.412	0.928
H12	-1.284	-3.412	-0.928

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4668	1.3197	2.4495	2.6313	3.6405	1.0891	2.1939	3.3280	3.3280	4.2778	4.2778
C2	1.4668		2.4495	1.3197	3.6405	2.6313	2.1939	1.0891	4.2778	4.2778	3.3280	3.3280
C3	1.3197	2.4495		3.6512	1.3116	4.9038	2.0841	2.6918	2.0933	2.0933	5.5302	5.5302
C4	2.4495	1.3197	3.6512		4.9038	1.3116	2.6918	2.0841	5.5302	5.5302	2.0933	2.0933
C5	2.6313	3.6405	1.3116	4.9038		6.1808	3.3092	3.6158	1.0864	1.0864	6.7986	6.7986
C6	3.6405	2.6313	4.9038	1.3116	6.1808		3.6158	3.3092	6.7986	6.7986	1.0864	1.0864
H7	1.0891	2.1939	2.0841	2.6918	3.3092	3.6158		3.1380	3.9641	3.9641	4.1844	4.1844
H8	2.1939	1.0891	2.6918	2.0841	3.6158	3.3092	3.1380		4.1844	4.1844	3.9641	3.9641
H9	3.3280	4.2778	2.0933	5.5302	1.0864	6.7986	3.9641	4.1844		1.8564	7.2906	7.5233
H10	3.3280	4.2778	2.0933	5.5302	1.0864	6.7986	3.9641	4.1844	1.8564		7.5233	7.2906
H11	4.2778	3.3280	5.5302	2.0933	6.7986	1.0864	4.1844	3.9641	7.2906	7.5233		1.8564
H12	4.2778	3.3280	5.5302	2.0933	6.7986	1.0864	4.1844	3.9641	7.5233	7.2906	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.977	C1	C2	H8	117.510
C1	C3	C5	179.593	C2	C1	C3	122.977
C2	C1	H7	117.510	C2	C4	C6	179.593
C3	C1	H7	119.512	C3	C5	H9	121.314
C3	C5	H10	121.314	C4	C2	H8	119.512
C4	C6	H11	121.314	C4	C6	H12	121.314
H9	C5	H10	117.372	H11	C6	H12	117.372

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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