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	hartrees
Energy at 0K	-232.247208
Energy at 298.15K	-232.254072
HF Energy	-231.735226
Nuclear repulsion energy	192.925151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3139	58.85
2	A₁	3176	3066	38.09
3	A₁	3159	3049	20.14
4	A₁	3137	3028	4.01
5	A₁	1669	1611	0.02
6	A₁	1587	1532	0.00
7	A₁	1450	1399	0.76
8	A₁	1360	1313	2.98
9	A₁	1301	1256	0.91
10	A₁	1099	1060	3.21
11	A₁	878	848	0.08
12	A₁	388	375	0.00
13	A₁	168	163	0.03
14	A₂	984	950	0.00
15	A₂	872	842	0.00
16	A₂	838	809	0.00
17	A₂	681	657	0.00
18	A₂	312	301	0.00
19	A₂	126	121	0.00
20	B₁	987	952	88.75
21	B₁	846	817	93.73
22	B₁	782	755	16.00
23	B₁	559	539	43.50
24	B₁	89	86	0.14
25	B₂	3251	3138	0.84
26	B₂	3162	3053	0.50
27	B₂	3135	3027	23.49
28	B₂	3125	3016	0.81
29	B₂	1642	1585	10.69
30	B₂	1509	1456	6.52
31	B₂	1398	1349	0.01
32	B₂	1325	1279	0.00
33	B₂	1214	1171	2.15
34	B₂	960	927	3.68
35	B₂	681	658	0.36
36	B₂	347	335	5.73

Atom	y (Å)	z (Å)
C1	0.690	0.789
C2	-0.690	0.789
C3	1.568	-0.409
C4	-1.568	-0.409
C5	2.940	-0.338
C6	-2.940	-0.338
H7	1.208	1.758
H8	-1.208	1.758
H9	1.096	-1.399
H10	-1.096	-1.399
H11	3.462	0.625
H12	-3.462	0.625
H13	3.559	-1.238
H14	-3.559	-1.238

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3810	1.4853	2.5566	2.5157	3.8010	1.0985	2.1312	2.2256	2.8251	2.7760	4.1554	3.5130	4.7087
C2	1.3810		2.5566	1.4853	3.8010	2.5157	2.1312	1.0985	2.8251	2.2256	4.1554	2.7760	4.7087	3.5130
C3	1.4853	2.5566		3.1355	1.3738	4.5079	2.1975	3.5216	1.0963	2.8419	2.1582	5.1347	2.1572	5.1936
C4	2.5566	1.4853	3.1355		4.5079	1.3738	3.5216	2.1975	2.8419	1.0963	5.1347	2.1582	5.1936	2.1572
C5	2.5157	3.8010	1.3738	4.5079		5.8793	2.7192	4.6469	2.1271	4.1731	1.0955	6.4734	1.0933	6.5610
C6	3.8010	2.5157	4.5079	1.3738	5.8793		4.6469	2.7192	4.1731	2.1271	6.4734	1.0955	6.5610	1.0933
H7	1.0985	2.1312	2.1975	3.5216	2.7192	4.6469		2.4151	3.1595	3.9087	2.5228	4.8047	3.8095	5.6307
H8	2.1312	1.0985	3.5216	2.1975	4.6469	2.7192	2.4151		3.9087	3.1595	4.8047	2.5228	5.6307	3.8095
H9	2.2256	2.8251	1.0963	2.8419	2.1271	4.1731	3.1595	3.9087		2.1925	3.1135	4.9873	2.4682	4.6583
H10	2.8251	2.2256	2.8419	1.0963	4.1731	2.1271	3.9087	3.1595	2.1925		4.9873	3.1135	4.6583	2.4682
H11	2.7760	4.1554	2.1582	5.1347	1.0955	6.4734	2.5228	4.8047	3.1135	4.9873		6.9233	1.8665	7.2641
H12	4.1554	2.7760	5.1347	2.1582	6.4734	1.0955	4.8047	2.5228	4.9873	3.1135	6.9233		7.2641	1.8665
H13	3.5130	4.7087	2.1572	5.1936	1.0933	6.5610	3.8095	5.6307	2.4682	4.6583	1.8665	7.2641		7.1185
H14	4.7087	3.5130	5.1936	2.1572	6.5610	1.0933	5.6307	3.8095	4.6583	2.4682	7.2641	1.8665	7.1185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.201	C1	C2	H8	118.079
C1	C3	C5	123.213	C1	C3	H9	118.328
C2	C1	C3	126.201	C2	C1	H7	118.079
C2	C4	C6	123.213	C2	C4	H10	118.328
C3	C1	H7	115.720	C3	C5	H11	121.445
C3	C5	H13	121.533	C4	C2	H8	115.720
C4	C6	H12	121.445	C4	C6	H14	121.533
C5	C3	H9	118.459	C6	C4	H10	118.459
H11	C5	H13	117.022	H12	C6	H14	117.022

All results from a given calculation for C₆H₈ ((Z)-hexa-1,3,5-triene)

using model chemistry: MP2/SDD

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 C6H8 ((Z)-hexa-1,3,5-triene)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₆H₈ ((Z)-hexa-1,3,5-triene)