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	hartrees
Energy at 0K	-231.015125
Energy at 298.15K	-231.018970
HF Energy	-230.487833
Nuclear repulsion energy	174.218239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	3022	0.00
2	A_g	3157	3020	0.00
3	A_g	2006	1919	0.00
4	A_g	1547	1480	0.00
5	A_g	1449	1386	0.00
6	A_g	1199	1147	0.00
7	A_g	1043	998	0.00
8	A_g	948	907	0.00
9	A_g	532	509	0.00
10	A_g	218	208	0.00
11	A_u	3237	3097	17.12
12	A_u	1082	1036	0.06
13	A_u	936	896	39.69
14	A_u	494	472	5.90
15	A_u	289	277	11.32
16	A_u	73	70	0.21
17	B_g	3237	3097	0.00
18	B_g	1085	1038	0.00
19	B_g	921	881	0.00
20	B_g	689	660	0.00
21	B_g	274	262	0.00
22	B_u	3164	3027	12.00
23	B_u	3158	3021	20.13
24	B_u	2020	1933	26.71
25	B_u	1532	1466	0.67
26	B_u	1329	1271	4.43
27	B_u	1101	1054	2.08
28	B_u	949	908	124.20
29	B_u	525	502	20.54
30	B_u	116	111	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.332	0.662	0.000
C2	0.332	-0.662	0.000
C3	0.332	1.819	0.000
C4	-0.332	-1.819	0.000
C5	0.998	2.966	0.000
C6	-0.998	-2.966	0.000
H7	-1.426	0.668	0.000
H8	1.426	-0.668	0.000
H9	1.288	3.465	0.926
H10	1.288	3.465	-0.926
H11	-1.288	-3.465	0.926
H12	-1.288	-3.465	-0.926

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4816	1.3337	2.4814	2.6599	3.6887	1.0939	2.2045	3.3666	3.3666	4.3362	4.3362
C2	1.4816		2.4814	1.3337	3.6887	2.6599	2.2045	1.0939	4.3362	4.3362	3.3666	3.3666
C3	1.3337	2.4814		3.6982	1.3263	4.9662	2.1008	2.7173	2.1163	2.1163	5.6034	5.6034
C4	2.4814	1.3337	3.6982		4.9662	1.3263	2.7173	2.1008	5.6034	5.6034	2.1163	2.1163
C5	2.6599	3.6887	1.3263	4.9662		6.2585	3.3398	3.6591	1.0906	1.0906	6.8872	6.8872
C6	3.6887	2.6599	4.9662	1.3263	6.2585		3.6591	3.3398	6.8872	6.8872	1.0906	1.0906
H7	1.0939	2.2045	2.1008	2.7173	3.3398	3.6591		3.1492	4.0050	4.0050	4.2376	4.2376
H8	2.2045	1.0939	2.7173	2.1008	3.6591	3.3398	3.1492		4.2376	4.2376	4.0050	4.0050
H9	3.3666	4.3362	2.1163	5.6034	1.0906	6.8872	4.0050	4.2376		1.8511	7.3926	7.6208
H10	3.3666	4.3362	2.1163	5.6034	1.0906	6.8872	4.0050	4.2376	1.8511		7.6208	7.3926
H11	4.3362	3.3666	5.6034	2.1163	6.8872	1.0906	4.2376	4.0050	7.3926	7.6208		1.8511
H12	4.3362	3.3666	5.6034	2.1163	6.8872	1.0906	4.2376	4.0050	7.6208	7.3926	1.8511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.536	C1	C2	H8	116.933
C1	C3	C5	179.678	C2	C1	C3	123.536
C2	C1	H7	116.933	C2	C4	C6	179.678
C3	C1	H7	119.531	C3	C5	H9	121.934
C3	C5	H10	121.934	C4	C2	H8	119.531
C4	C6	H11	121.934	C4	C6	H12	121.934
H9	C5	H10	116.133	H11	C6	H12	116.133

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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