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	hartrees
Energy at 0K	-231.491306
Energy at 298.15K	-231.494999
HF Energy	-230.596255
Nuclear repulsion energy	173.892255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3157	3084
2	A_g	3148	3076
3	A_g	2016	1969
4	A_g	1521	1486
5	A_g	1426	1393
6	A_g	1186	1158
7	A_g	1048	1024
8	A_g	869	849
9	A_g	531	519
10	A_g	225	220
11	A_u	3226	3151
12	A_u	1036	1012
13	A_u	911	890
14	A_u	481	470
15	A_u	330	322
16	A_u	75	74
17	B_g	3226	3151
18	B_g	1038	1014
19	B_g	883	863
20	B_g	664	649
21	B_g	307	300
22	B_u	3164	3091
23	B_u	3149	3076
24	B_u	2030	1983
25	B_u	1490	1456
26	B_u	1292	1262
27	B_u	1101	1076
28	B_u	870	850
29	B_u	529	517
30	B_u	118	116

Atom	x (Å)	y (Å)	z (Å)
C1	-0.335	0.660	0.000
C2	0.335	-0.660	0.000
C3	0.335	1.817	0.000
C4	-0.335	-1.817	0.000
C5	1.009	2.965	0.000
C6	-1.009	-2.965	0.000
H7	-1.434	0.674	0.000
H8	1.434	-0.674	0.000
H9	1.295	3.454	0.940
H10	1.295	3.454	-0.940
H11	-1.295	-3.454	0.940
H12	-1.295	-3.454	-0.940

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4801	1.3374	2.4766	2.6688	3.6871	1.0988	2.2157	3.3685	3.3685	4.3272	4.3272
C2	1.4801		2.4766	1.3374	3.6871	2.6688	2.2157	1.0988	4.3272	4.3272	3.3685	3.3685
C3	1.3374	2.4766		3.6951	1.3314	4.9676	2.1063	2.7225	2.1173	2.1173	5.5964	5.5964
C4	2.4766	1.3374	3.6951		4.9676	1.3314	2.7225	2.1063	5.5964	5.5964	2.1173	2.1173
C5	2.6688	3.6871	1.3314	4.9676		6.2645	3.3493	3.6641	1.0971	1.0971	6.8844	6.8844
C6	3.6871	2.6688	4.9676	1.3314	6.2645		3.6641	3.3493	6.8844	6.8844	1.0971	1.0971
H7	1.0988	2.2157	2.1063	2.7225	3.3493	3.6641		3.1691	4.0070	4.0070	4.2357	4.2357
H8	2.2157	1.0988	2.7225	2.1063	3.6641	3.3493	3.1691		4.2357	4.2357	4.0070	4.0070
H9	3.3685	4.3272	2.1173	5.5964	1.0971	6.8844	4.0070	4.2357		1.8797	7.3769	7.6126
H10	3.3685	4.3272	2.1173	5.5964	1.0971	6.8844	4.0070	4.2357	1.8797		7.6126	7.3769
H11	4.3272	3.3685	5.5964	2.1173	6.8844	1.0971	4.2357	4.0070	7.3769	7.6126		1.8797
H12	4.3272	3.3685	5.5964	2.1173	6.8844	1.0971	4.2357	4.0070	7.6126	7.3769	1.8797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.968	C1	C2	H8	117.686
C1	C3	C5	179.699	C2	C1	C3	122.968
C2	C1	H7	117.686	C2	C4	C6	179.699
C3	C1	H7	119.346	C3	C5	H9	121.051
C3	C5	H10	121.051	C4	C2	H8	119.346
C4	C6	H11	121.051	C4	C6	H12	121.051
H9	C5	H10	117.898	H11	C6	H12	117.898

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

using model chemistry: MP4/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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