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	hartrees
Energy at 0K	-228.079354
Energy at 298.15K	-228.082984
HF Energy	-227.703450
Nuclear repulsion energy	173.605068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3472	3027	0.00
2	A_g	3423	2985	0.00
3	A_g	2137	1863	0.00
4	A_g	1644	1433	0.00
5	A_g	1529	1333	0.00
6	A_g	1238	1079	0.00
7	A_g	1093	953	0.00
8	A_g	943	822	0.00
9	A_g	549	479	0.00
10	A_g	228	199	0.00
11	A_u	3561	3105	0.71
12	A_u	1122	978	0.00
13	A_u	1011	881	13.32
14	A_u	505	440	3.02
15	A_u	342	299	1.49
16	A_u	75	65	0.08
17	B_g	3561	3105	0.00
18	B_g	1124	980	0.00
19	B_g	974	849	0.00
20	B_g	719	627	0.00
21	B_g	316	276	0.00
22	B_u	3476	3030	14.09
23	B_u	3424	2985	15.06
24	B_u	2156	1880	9.89
25	B_u	1623	1416	10.16
26	B_u	1374	1198	16.88
27	B_u	1157	1009	0.75
28	B_u	944	823	42.11
29	B_u	551	480	4.80
30	B_u	122	106	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.336	0.677	0.000
C2	0.336	-0.677	0.000
C3	0.336	1.826	0.000
C4	-0.336	-1.826	0.000
C5	1.007	2.966	0.000
C6	-1.007	-2.966	0.000
H7	-1.440	0.682	0.000
H8	1.440	-0.682	0.000
H9	1.301	3.468	0.935
H10	1.301	3.468	-0.935
H11	-1.301	-3.468	0.935
H12	-1.301	-3.468	-0.935

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.5114	1.3309	2.5036	2.6535	3.7045	1.1042	2.2359	3.3681	3.3681	4.3580	4.3580
C2	1.5114		2.5036	1.3309	3.7045	2.6535	2.2359	1.1042	4.3580	4.3580	3.3681	3.3681
C3	1.3309	2.5036		3.7141	1.3226	4.9770	2.1120	2.7410	2.1219	2.1219	5.6204	5.6204
C4	2.5036	1.3309	3.7141		4.9770	1.3226	2.7410	2.1120	5.6204	5.6204	2.1219	2.1219
C5	2.6535	3.7045	1.3226	4.9770		6.2645	3.3467	3.6740	1.1016	1.1016	6.8995	6.8995
C6	3.7045	2.6535	4.9770	1.3226	6.2645		3.6740	3.3467	6.8995	6.8995	1.1016	1.1016
H7	1.1042	2.2359	2.1120	2.7410	3.3467	3.6740		3.1864	4.0186	4.0186	4.2569	4.2569
H8	2.2359	1.1042	2.7410	2.1120	3.6740	3.3467	3.1864		4.2569	4.2569	4.0186	4.0186
H9	3.3681	4.3580	2.1219	5.6204	1.1016	6.8995	4.0186	4.2569		1.8704	7.4088	7.6412
H10	3.3681	4.3580	2.1219	5.6204	1.1016	6.8995	4.0186	4.2569	1.8704		7.6412	7.4088
H11	4.3580	3.3681	5.6204	2.1219	6.8995	1.1016	4.2569	4.0186	7.4088	7.6412		1.8704
H12	4.3580	3.3681	5.6204	2.1219	6.8995	1.1016	4.2569	4.0186	7.6412	7.4088	1.8704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.363	C1	C2	H8	116.626
C1	C3	C5	179.783	C2	C1	C3	123.363
C2	C1	H7	116.626	C2	C4	C6	179.783
C3	C1	H7	120.010	C3	C5	H9	121.905
C3	C5	H10	121.905	C4	C2	H8	120.010
C4	C6	H11	121.905	C4	C6	H12	121.905
H9	C5	H10	116.191	H11	C6	H12	116.191

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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