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	hartrees
Energy at 0K	-232.749188
Energy at 298.15K	-232.756357
HF Energy	-231.830657
Nuclear repulsion energy	196.844373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3311	3127	11.72
2	A₁	3243	3063	10.64
3	A₁	3216	3038	10.54
4	A₁	3208	3030	0.87
5	A₁	1701	1607	0.03
6	A₁	1621	1531	0.00
7	A₁	1446	1366	0.43
8	A₁	1354	1279	3.34
9	A₁	1295	1223	0.67
10	A₁	1103	1042	0.81
11	A₁	903	853	0.02
12	A₁	391	369	0.06
13	A₁	169	160	0.10
14	A₂	1049	991	0.00
15	A₂	983	928	0.00
16	A₂	936	884	0.00
17	A₂	741	700	0.00
18	A₂	332	314	0.00
19	A₂	148	140	0.00
20	B₁	1043	985	31.49
21	B₁	938	886	66.80
22	B₁	857	809	3.38
23	B₁	616	581	20.70
24	B₁	102	96	0.22
25	B₂	3310	3126	0.00
26	B₂	3228	3049	0.74
27	B₂	3208	3030	1.13
28	B₂	3196	3018	0.03
29	B₂	1678	1585	3.55
30	B₂	1497	1414	7.79
31	B₂	1391	1314	0.14
32	B₂	1310	1237	0.79
33	B₂	1220	1152	1.98
34	B₂	971	917	3.29
35	B₂	683	645	0.34
36	B₂	345	326	8.46

Atom	y (Å)	z (Å)
C1	0.677	0.760
C2	-0.677	0.760
C3	1.540	-0.405
C4	-1.540	-0.405
C5	2.880	-0.318
C6	-2.880	-0.318
H7	1.184	1.721
H8	-1.184	1.721
H9	1.081	-1.388
H10	-1.081	-1.388
H11	3.378	0.645
H12	-3.378	0.645
H13	3.508	-1.199
H14	-3.508	-1.199

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3531	1.4501	2.5042	2.4530	3.7164	1.0871	2.0944	2.1853	2.7751	2.7038	4.0561	3.4425	4.6198
C2	1.3531		2.5042	1.4501	3.7164	2.4530	2.0944	1.0871	2.7751	2.1853	4.0561	2.7038	4.6198	3.4425
C3	1.4501	2.5042		3.0805	1.3430	4.4215	2.1557	3.4558	1.0847	2.7996	2.1168	5.0292	2.1214	5.1098
C4	2.5042	1.4501	3.0805		4.4215	1.3430	3.4558	2.1557	2.7996	1.0847	5.0292	2.1168	5.1098	2.1214
C5	2.4530	3.7164	1.3430	4.4215		5.7607	2.6518	4.5471	2.0935	4.1036	1.0839	6.3320	1.0818	6.4484
C6	3.7164	2.4530	4.4215	1.3430	5.7607		4.5471	2.6518	4.1036	2.0935	6.3320	1.0839	6.4484	1.0818
H7	1.0871	2.0944	2.1557	3.4558	2.6518	4.5471		2.3683	3.1106	3.8467	2.4432	4.6871	3.7315	5.5261
H8	2.0944	1.0871	3.4558	2.1557	4.5471	2.6518	2.3683		3.8467	3.1106	4.6871	2.4432	5.5261	3.7315
H9	2.1853	2.7751	1.0847	2.7996	2.0935	4.1036	3.1106	3.8467		2.1624	3.0675	4.9009	2.4337	4.5926
H10	2.7751	2.1853	2.7996	1.0847	4.1036	2.0935	3.8467	3.1106	2.1624		4.9009	3.0675	4.5926	2.4337
H11	2.7038	4.0561	2.1168	5.0292	1.0839	6.3320	2.4432	4.6871	3.0675	4.9009		6.7559	1.8490	7.1282
H12	4.0561	2.7038	5.0292	2.1168	6.3320	1.0839	4.6871	2.4432	4.9009	3.0675	6.7559		7.1282	1.8490
H13	3.4425	4.6198	2.1214	5.1098	1.0818	6.4484	3.7315	5.5261	2.4337	4.5926	1.8490	7.1282		7.0151
H14	4.6198	3.4425	5.1098	2.1214	6.4484	1.0818	5.5261	3.7315	4.5926	2.4337	7.1282	1.8490	7.0151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.559	C1	C2	H8	117.837
C1	C3	C5	122.817	C1	C3	H9	118.402
C2	C1	C3	126.559	C2	C1	H7	117.837
C2	C4	C6	122.817	C2	C4	H10	118.402
C3	C1	H7	115.604	C3	C5	H11	121.067
C3	C5	H13	121.689	C4	C2	H8	115.604
C4	C6	H12	121.067	C4	C6	H14	121.689
C5	C3	H9	118.780	C6	C4	H10	118.780
H11	C5	H13	117.244	H12	C6	H14	117.244

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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