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	hartrees
Energy at 0K	-231.649585
Energy at 298.15K
HF Energy	-230.625806
Nuclear repulsion energy	175.292747

Atom	x (Å)	y (Å)	z (Å)
C1	-0.332	0.658	0.000
C2	0.332	-0.658	0.000
C3	0.332	1.805	0.000
C4	-0.332	-1.805	0.000
C5	1.000	2.941	0.000
C6	-1.000	-2.941	0.000
H7	-1.423	0.671	0.000
H8	1.423	-0.671	0.000
H9	1.284	3.428	0.932
H10	1.284	3.428	-0.932
H11	-1.284	-3.428	0.932
H12	-1.284	-3.428	-0.932

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4741	1.3249	2.4627	2.6429	3.6604	1.0910	2.2014	3.3393	3.3393	4.2974	4.2974
C2	1.4741		2.4627	1.3249	3.6604	2.6429	2.2014	1.0910	4.2974	4.2974	3.3393	3.3393
C3	1.3249	2.4627		3.6698	1.3180	4.9289	2.0891	2.7054	2.0998	2.0998	5.5548	5.5548
C4	2.4627	1.3249	3.6698		4.9289	1.3180	2.7054	2.0891	5.5548	5.5548	2.0998	2.0998
C5	2.6429	3.6604	1.3180	4.9289		6.2124	3.3199	3.6367	1.0891	1.0891	6.8295	6.8295
C6	3.6604	2.6429	4.9289	1.3180	6.2124		3.6367	3.3199	6.8295	6.8295	1.0891	1.0891
H7	1.0910	2.2014	2.0891	2.7054	3.3199	3.6367		3.1464	3.9743	3.9743	4.2055	4.2055
H8	2.2014	1.0910	2.7054	2.0891	3.6367	3.3199	3.1464		4.2055	4.2055	3.9743	3.9743
H9	3.3393	4.2974	2.0998	5.5548	1.0891	6.8295	3.9743	4.2055		1.8639	7.3205	7.5540
H10	3.3393	4.2974	2.0998	5.5548	1.0891	6.8295	3.9743	4.2055	1.8639		7.5540	7.3205
H11	4.2974	3.3393	5.5548	2.0998	6.8295	1.0891	4.2055	3.9743	7.3205	7.5540		1.8639
H12	4.2974	3.3393	5.5548	2.0998	6.8295	1.0891	4.2055	3.9743	7.5540	7.3205	1.8639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.157	C1	C2	H8	117.451
C1	C3	C5	179.628	C2	C1	C3	123.157
C2	C1	H7	117.451	C2	C4	C6	179.628
C3	C1	H7	119.392	C3	C5	H9	121.167
C3	C5	H10	121.167	C4	C2	H8	119.392
C4	C6	H11	121.167	C4	C6	H12	121.167
H9	C5	H10	117.666	H11	C6	H12	117.666

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

using model chemistry: MP4=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: MP4=FULL/6-311G**

States and conformations

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