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	hartrees
Energy at 0K	-233.957515
Energy at 298.15K	-233.967443
HF Energy	-233.012233
Nuclear repulsion energy	216.953017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3128	8.94
2	A'	3285	3103	2.38
3	A'	3208	3030	2.53
4	A'	3201	3023	20.52
5	A'	3196	3019	25.32
6	A'	3177	3001	0.86
7	A'	3109	2936	12.62
8	A'	3078	2907	17.97
9	A'	1723	1628	4.55
10	A'	1651	1560	0.64
11	A'	1545	1459	6.55
12	A'	1499	1416	3.53
13	A'	1485	1402	13.24
14	A'	1432	1353	3.08
15	A'	1408	1330	0.24
16	A'	1404	1326	6.30
17	A'	1333	1259	0.30
18	A'	1314	1241	6.74
19	A'	1188	1122	0.75
20	A'	1090	1030	4.16
21	A'	1063	1004	1.54
22	A'	946	894	2.77
23	A'	828	782	3.67
24	A'	720	680	1.49
25	A'	420	397	0.35
26	A'	273	258	2.00
27	A'	199	188	0.40
28	A"	3212	3034	14.29
29	A"	3115	2942	10.67
30	A"	1534	1449	6.19
31	A"	1319	1246	0.20
32	A"	1114	1052	3.36
33	A"	1057	999	10.43
34	A"	1005	949	1.95
35	A"	937	885	33.37
36	A"	844	797	2.47
37	A"	772	729	1.52
38	A"	638	602	21.73
39	A"	404	381	0.00
40	A"	317	299	0.01
41	A"	111	105	0.24
42	A"	78	74	0.17

Atom	x (Å)	y (Å)	z (Å)
H1	-2.052	1.269	0.000
C2	-1.230	0.556	0.000
H3	0.031	2.194	0.000
C4	0.000	1.106	0.000
H5	1.395	-0.593	0.000
C6	1.316	0.485	0.000
H7	3.421	0.746	0.000
H8	2.413	2.296	0.000
C9	2.444	1.213	0.000
H10	-2.369	-0.987	0.867
H11	-2.369	-0.987	-0.867
C12	-1.708	-0.868	0.000
H13	-1.200	-2.961	0.000
H14	-0.049	-1.964	-0.885
H15	-0.049	-1.964	0.885
C16	-0.685	-1.999	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0884	2.2789	2.0583	3.9177	3.4582	5.4973	4.5816	4.4967	2.4374	2.4374	2.1642	4.3146	3.9047	3.9047	3.5418
C2	1.0884		2.0670	1.3472	2.8651	2.5469	4.6540	4.0371	3.7323	2.1048	2.1048	1.5021	3.5168	2.9202	2.9202	2.6118
H3	2.2789	2.0670		1.0884	3.1030	2.1387	3.6861	2.3845	2.6056	4.0779	4.0779	3.5215	5.2999	4.2523	4.2523	4.2534
C4	2.0583	1.3472	1.0884		2.1984	1.4556	3.4394	2.6906	2.4468	3.2780	3.2780	2.6108	4.2404	3.1959	3.1959	3.1795
H5	3.9177	2.8651	3.1030	2.1984		1.0805	2.4278	3.0630	2.0881	3.8829	3.8829	3.1160	3.5133	2.1798	2.1798	2.5108
C6	3.4582	2.5469	2.1387	1.4556	1.0805		2.1203	2.1175	1.3425	4.0620	4.0620	3.3136	4.2668	2.9406	2.9406	3.1896
H7	5.4973	4.6540	3.6861	3.4394	2.4278	2.1203		1.8488	1.0818	6.1052	6.1052	5.3770	5.9237	4.4911	4.4911	4.9385
H8	4.5816	4.0371	2.3845	2.6906	3.0630	2.1175	1.8488		1.0841	5.8650	5.8650	5.1961	6.3790	4.9999	4.9999	5.2957
C9	4.4967	3.7323	2.6056	2.4468	2.0881	1.3425	1.0818	1.0841		5.3627	5.3627	4.6450	5.5407	4.1347	4.1347	4.4839
H10	2.4374	2.1048	4.0779	3.2780	3.8829	4.0620	6.1052	5.8650	5.3627		1.7348	1.0967	2.4527	3.0671	2.5172	2.1475
H11	2.4374	2.1048	4.0779	3.2780	3.8829	4.0620	6.1052	5.8650	5.3627	1.7348		1.0967	2.4527	2.5172	3.0671	2.1475
C12	2.1642	1.5021	3.5215	2.6108	3.1160	3.3136	5.3770	5.1961	4.6450	1.0967	1.0967		2.1539	2.1768	2.1768	1.5251
H13	4.3146	3.5168	5.2999	4.2404	3.5133	4.2668	5.9237	6.3790	5.5407	2.4527	2.4527	2.1539		1.7608	1.7608	1.0914
H14	3.9047	2.9202	4.2523	3.1959	2.1798	2.9406	4.4911	4.9999	4.1347	3.0671	2.5172	2.1768	1.7608		1.7702	1.0903
H15	3.9047	2.9202	4.2523	3.1959	2.1798	2.9406	4.4911	4.9999	4.1347	2.5172	3.0671	2.1768	1.7608	1.7702		1.0903
C16	3.5418	2.6118	4.2534	3.1795	2.5108	3.1896	4.9385	5.2957	4.4839	2.1475	2.1475	1.5251	1.0914	1.0903	1.0903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.955	H1	C2	C12	112.338
C2	C4	H3	115.733	C2	C4	C6	130.620
C2	C12	H10	107.145	C2	C12	H11	107.145
C2	C12	C16	119.256	H3	C4	C6	113.646
C4	C2	C12	132.707	C4	C6	H5	119.454
C4	C6	C9	121.910	H5	C6	C9	118.636
C6	C9	H7	121.630	C6	C9	H8	121.165
H7	C9	H8	117.204	H10	C12	H11	104.548
H10	C12	C16	108.889	H11	C12	C16	108.889
C12	C16	H13	109.697	C12	C16	H14	111.590
C12	C16	H15	111.590	H13	C16	H14	107.627
H13	C16	H15	107.627	H14	C16	H15	108.550

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (Z)-)

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 C6H10 (1,3-Hexadiene, (Z)-)

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

States and conformations

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (Z)-)