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	hartrees
Energy at 0K	-233.801788
Energy at 298.15K	-233.811413
HF Energy	-232.981915
Nuclear repulsion energy	218.254581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3095	15.59
2	A	3218	3020	7.24
3	A	3214	3017	44.12
4	A	3200	3004	19.08
5	A	3198	3002	17.38
6	A	3187	2992	0.83
7	A	3156	2962	18.93
8	A	3123	2932	18.80
9	A	3097	2907	17.13
10	A	3081	2892	24.85
11	A	1793	1682	1.35
12	A	1763	1655	8.15
13	A	1562	1466	9.18
14	A	1545	1450	0.97
15	A	1542	1448	8.38
16	A	1495	1403	4.60
17	A	1487	1396	3.73
18	A	1460	1370	2.97
19	A	1395	1310	3.30
20	A	1362	1278	1.73
21	A	1333	1251	0.56
22	A	1264	1187	1.54
23	A	1163	1091	1.39
24	A	1125	1056	8.11
25	A	1100	1032	0.76
26	A	1049	985	15.06
27	A	1035	971	1.87
28	A	1003	941	0.20
29	A	997	936	2.96
30	A	951	893	3.83
31	A	938	880	31.92
32	A	902	847	3.15
33	A	750	704	28.14
34	A	619	581	6.07
35	A	567	532	1.95
36	A	540	507	12.01
37	A	399	375	0.34
38	A	309	290	0.01
39	A	214	201	0.06
40	A	128	120	0.03
41	A	106	100	0.23
42	A	23	21	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	2.177	0.526	-0.664
H2	3.131	0.020	-0.854
H3	1.531	0.371	-1.530
H4	2.392	1.599	-0.594
C5	1.555	0.034	0.614
H6	2.136	0.232	1.515
C7	0.389	-0.608	0.756
H8	0.074	-0.874	1.765
C9	-0.574	-0.994	-0.335
H10	-0.081	-0.987	-1.315
H11	-0.887	-2.035	-0.175
C12	-1.814	-0.129	-0.405
H13	-2.607	-0.504	-1.052
C14	-1.991	1.027	0.238
H15	-2.910	1.596	0.131
H16	-1.228	1.445	0.887

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0963	1.0919	1.0958	1.5041	2.1991	2.5496	3.5049	3.1604	2.7950	4.0235	4.0534	4.9095	4.2945	5.2586	3.8529
H2	1.0963		1.7726	1.7625	2.1533	2.5776	3.2408	4.1231	3.8759	3.3972	4.5635	4.9678	5.7654	5.3333	6.3200	4.9051
H3	1.0919	1.7726		1.7673	2.1705	3.1077	2.7367	3.8118	2.7786	2.1185	3.6703	3.5646	4.2563	3.9951	4.8964	3.8216
H4	1.0958	1.7625	1.7673		2.1464	2.5264	3.2714	4.1293	3.9475	3.6494	4.9121	4.5510	5.4422	4.4978	5.3507	3.9140
C5	1.5041	2.1533	2.1705	2.1464		1.0900	1.3386	2.0841	2.5479	2.7275	3.2968	3.5239	4.5156	3.7021	4.7548	3.1321
H6	2.1991	2.5776	3.1077	2.5264	1.0900		2.0812	2.3532	3.5028	3.7956	4.1392	4.4068	5.4432	4.3930	5.4071	3.6307
C7	2.5496	3.2408	2.7367	3.2714	1.3386	2.0812		1.0896	1.5062	2.1575	2.1293	2.5362	3.5014	2.9340	4.0163	2.6162
H8	3.5049	4.1231	3.8118	4.1293	2.0841	2.3532	1.0896		2.2011	3.0856	2.4567	2.9709	3.9064	3.1954	4.2040	2.8004
C9	3.1604	3.8759	2.7786	3.9475	2.5479	3.5028	1.5062	2.2011		1.0968	1.0991	1.5134	2.2108	2.5340	3.5185	2.8050
H10	2.7950	3.3972	2.1185	3.6494	2.7275	3.7956	2.1575	3.0856	1.0968		1.7455	2.1379	2.5859	3.1812	4.0948	3.4755
H11	4.0235	4.5635	3.6703	4.9121	3.2968	4.1392	2.1293	2.4567	1.0991	1.7455		2.1320	2.4645	3.2815	4.1680	3.6544
C12	4.0534	4.9678	3.5646	4.5510	3.5239	4.4068	2.5362	2.9709	1.5134	2.1379	2.1320		1.0900	1.3347	2.1127	2.1189
H13	4.9095	5.7654	4.2563	5.4422	4.5156	5.4432	3.5014	3.9064	2.2108	2.5859	2.4645	1.0900		2.0944	2.4289	3.0755
C14	4.2945	5.3333	3.9951	4.4978	3.7021	4.3930	2.9340	3.1954	2.5340	3.1812	3.2815	1.3347	2.0944		1.0856	1.0856
H15	5.2586	6.3200	4.8964	5.3507	4.7548	5.4071	4.0163	4.2040	3.5185	4.0948	4.1680	2.1127	2.4289	1.0856		1.8501
H16	3.8529	4.9051	3.8216	3.9140	3.1321	3.6307	2.6162	2.8004	2.8050	3.4755	3.6544	2.1189	3.0755	1.0856	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	115.001	C1	C5	C7	127.411
H2	C1	H3	108.211	H2	C1	H4	107.030
H2	C1	C5	110.830	H3	C1	H4	107.765
H3	C1	C5	112.494	H4	C1	C5	110.304
C5	C7	H8	117.886	C5	C7	C9	127.074
H6	C5	C7	117.589	C7	C9	H10	110.981
C7	C9	H11	108.623	C7	C9	C12	114.256
H8	C7	C9	115.031	C9	C12	H13	115.286
C9	C12	C14	125.562	H10	C9	H11	105.289
H10	C9	C12	108.934	H11	C9	C12	108.341
C12	C14	H15	121.254	C12	C14	H16	121.863
H13	C12	C14	119.147	H15	C14	H16	116.883

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)

using model chemistry: MP3/6-31G*

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 (1,4-Hexadiene, (Z)-)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)