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	hartrees
Energy at 0K	-39.412031
Energy at 298.15K	-39.421874
HF Energy	-38.688727
Nuclear repulsion energy	116.998453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3124	28.94
2	A'	3274	3108	0.81
3	A'	3185	3023	17.86
4	A'	3183	3022	22.71
5	A'	3178	3018	54.03
6	A'	3147	2988	5.99
7	A'	3088	2931	23.07
8	A'	3070	2915	34.05
9	A'	1731	1643	4.65
10	A'	1651	1568	1.98
11	A'	1545	1467	6.23
12	A'	1502	1426	5.26
13	A'	1484	1409	8.81
14	A'	1451	1378	4.35
15	A'	1414	1343	7.18
16	A'	1398	1328	1.91
17	A'	1327	1260	0.32
18	A'	1309	1243	5.84
19	A'	1191	1130	1.61
20	A'	1090	1035	3.19
21	A'	1062	1008	1.80
22	A'	940	892	3.36
23	A'	828	786	3.50
24	A'	708	673	1.85
25	A'	415	394	0.39
26	A'	273	260	2.11
27	A'	199	189	0.38
28	A"	3203	3041	38.30
29	A"	3120	2962	23.79
30	A"	1537	1459	6.53
31	A"	1326	1259	0.53
32	A"	1122	1065	7.05
33	A"	1034	982	38.86
34	A"	959	910	0.58
35	A"	848	805	41.89
36	A"	840	798	23.81
37	A"	763	724	3.55
38	A"	631	599	45.65
39	A"	400	380	0.04
40	A"	315	299	0.08
41	A"	121	114	0.25
42	A"	80	76	0.21

Atom	x (Å)	y (Å)	z (Å)
H1	-2.090	1.298	0.000
C2	-1.254	0.581	0.000
H3	0.026	2.256	0.000
C4	0.000	1.157	0.000
H5	1.428	-0.563	0.000
C6	1.338	0.524	0.000
H7	3.477	0.817	0.000
H8	2.440	2.378	0.000
C9	2.485	1.282	0.000
H10	-2.381	-0.998	0.881
H11	-2.381	-0.998	-0.881
C12	-1.721	-0.870	0.000
H13	-1.183	-2.977	0.000
H14	-0.028	-1.956	-0.898
H15	-0.028	-1.956	0.898
C16	-0.667	-1.999	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.1014	2.3231	2.0950	3.9797	3.5145	5.5875	4.6568	4.5749	2.4767	2.4767	2.1995	4.3699	3.9554	3.9554	3.5910
C2	1.1014		2.1081	1.3800	2.9156	2.5928	4.7366	4.1076	3.8040	2.1309	2.1309	1.5245	3.5584	2.9571	2.9571	2.6459
H3	2.3231	2.1081		1.0994	3.1479	2.1727	3.7382	2.4164	2.6441	4.1425	4.1425	3.5812	5.3702	4.3064	4.3064	4.3108
C4	2.0950	1.3800	1.0994		2.2350	1.4801	3.4931	2.7281	2.4877	3.3301	3.3301	2.6590	4.2992	3.2394	3.2394	3.2253
H5	3.9797	2.9156	3.1479	2.2350		1.0904	2.4705	3.1101	2.1265	3.9334	3.9334	3.1635	3.5552	2.2054	2.2054	2.5396
C6	3.5145	2.5928	2.1727	1.4801	1.0904		2.1586	2.1567	1.3748	4.1139	4.1139	3.3616	4.3136	2.9697	2.9697	3.2224
H7	5.5875	4.7366	3.7382	3.4931	2.4705	2.1586		1.8737	1.0955	6.1954	6.1954	5.4646	6.0085	4.5581	4.5581	5.0100
H8	4.6568	4.1076	2.4164	2.7281	3.1101	2.1567	1.8737		1.0966	5.9509	5.9509	5.2783	6.4647	5.0670	5.0670	5.3672
C9	4.5749	3.8040	2.6441	2.4877	2.1265	1.3748	1.0955	1.0966		5.4453	5.4453	4.7244	5.6202	4.1956	4.1956	4.5496
H10	2.4767	2.1309	4.1425	3.3301	3.9334	4.1139	6.1954	5.9509	5.4453		1.7625	1.1085	2.4751	3.1012	2.5404	2.1715
H11	2.4767	2.1309	4.1425	3.3301	3.9334	4.1139	6.1954	5.9509	5.4453	1.7625		1.1085	2.4751	2.5404	3.1012	2.1715
C12	2.1995	1.5245	3.5812	2.6590	3.1635	3.3616	5.4646	5.2783	4.7244	1.1085	1.1085		2.1740	2.2023	2.2023	1.5442
H13	4.3699	3.5584	5.3702	4.2992	3.5552	4.3136	6.0085	6.4647	5.6202	2.4751	2.4751	2.1740		1.7836	1.7836	1.1054
H14	3.9554	2.9571	4.3064	3.2394	2.2054	2.9697	4.5581	5.0670	4.1956	3.1012	2.5404	2.2023	1.7836		1.7951	1.1027
H15	3.9554	2.9571	4.3064	3.2394	2.2054	2.9697	4.5581	5.0670	4.1956	2.5404	3.1012	2.2023	1.7836	1.7951		1.1027
C16	3.5910	2.6459	4.3108	3.2253	2.5396	3.2224	5.0100	5.3672	4.5496	2.1715	2.1715	1.5442	1.1054	1.1027	1.1027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.732	H1	C2	C12	112.787
C2	C4	H3	116.020	C2	C4	C6	130.030
C2	C12	H10	106.991	C2	C12	H11	106.991
C2	C12	C16	119.134	H3	C4	C6	113.950
C4	C2	C12	132.481	C4	C6	H5	120.031
C4	C6	C9	121.201	H5	C6	C9	118.768
C6	C9	H7	121.402	C6	C9	H8	121.130
H7	C9	H8	117.469	H10	C12	H11	105.315
H10	C12	C16	108.785	H11	C12	C16	108.785
C12	C16	H13	109.152	C12	C16	H14	111.528
C12	C16	H15	111.528	H13	C16	H14	107.759
H13	C16	H15	107.759	H14	C16	H15	108.970

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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