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	hartrees
Energy at 0K	-194.336309
Energy at 298.15K	-194.343631
HF Energy	-193.881459
Nuclear repulsion energy	153.896697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3096	23.87
2	A'	3180	3021	35.44
3	A'	3171	3013	27.88
4	A'	3161	3003	9.14
5	A'	3150	2993	12.77
6	A'	3135	2979	3.89
7	A'	3053	2900	26.10
8	A'	1715	1629	2.24
9	A'	1651	1568	1.00
10	A'	1568	1490	5.98
11	A'	1521	1445	6.30
12	A'	1489	1414	5.80
13	A'	1445	1372	0.81
14	A'	1369	1301	0.53
15	A'	1338	1271	0.74
16	A'	1222	1161	1.93
17	A'	1101	1046	0.31
18	A'	990	941	7.18
19	A'	902	857	0.83
20	A'	629	598	4.22
21	A'	395	376	2.37
22	A'	226	215	0.14
23	A"	3116	2961	25.81
24	A"	1554	1477	6.67
25	A"	1115	1059	0.68
26	A"	1013	962	22.38
27	A"	965	917	6.17
28	A"	916	870	40.76
29	A"	786	746	14.10
30	A"	625	594	27.32
31	A"	346	329	0.21
32	A"	101	96	0.01
33	A"	87	82	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	2.422	0.156	0.000
C2	1.115	-0.217	0.000
C3	0.000	0.747	0.000
C4	-1.331	0.458	0.000
C5	-1.976	-0.916	0.000
H6	2.717	1.206	0.000
H7	3.229	-0.575	0.000
H8	0.875	-1.282	0.000
H9	0.293	1.802	0.000
H10	-2.033	1.296	0.000
H11	-1.233	-1.723	0.000
H12	-2.615	-1.046	0.886
H13	-2.615	-1.046	-0.886

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3586	2.4929	3.7649	4.5260	1.0915	1.0887	2.1119	2.6914	4.5986	4.1096	5.2536	5.2536
C2	1.3586		1.4740	2.5375	3.1689	2.1428	2.1441	1.0924	2.1801	3.4929	2.7901	3.9229	3.9229
C3	2.4929	1.4740		1.3622	2.5823	2.7558	3.4893	2.2102	1.0952	2.1060	2.7612	3.2925	3.2925
C4	3.7649	2.5375	1.3622		1.5170	4.1170	4.6757	2.8098	2.1086	1.0935	2.1832	2.1669	2.1669
C5	4.5260	3.1689	2.5823	1.5170		5.1504	5.2160	2.8743	3.5404	2.2122	1.0972	1.1006	1.1006
H6	1.0915	2.1428	2.7558	4.1170	5.1504		1.8531	3.0963	2.4965	4.7514	4.9182	5.8561	5.8561
H7	1.0887	2.1441	3.4893	4.6757	5.2160	1.8531		2.4582	3.7778	5.5850	4.6079	5.9300	5.9300
H8	2.1119	1.0924	2.2102	2.8098	2.8743	3.0963	2.4582		3.1393	3.8866	2.1539	3.6088	3.6088
H9	2.6914	2.1801	1.0952	2.1086	3.5404	2.4965	3.7778	3.1393		2.3808	3.8419	4.1662	4.1662
H10	4.5986	3.4929	2.1060	1.0935	2.2122	4.7514	5.5850	3.8866	2.3808		3.1234	2.5707	2.5707
H11	4.1096	2.7901	2.7612	2.1832	1.0972	4.9182	4.6079	2.1539	3.8419	3.1234		1.7760	1.7760
H12	5.2536	3.9229	3.2925	2.1669	1.1006	5.8561	5.9300	3.6088	4.1662	2.5707	1.7760		1.7723
H13	5.2536	3.9229	3.2925	2.1669	1.1006	5.8561	5.9300	3.6088	4.1662	2.5707	1.7760	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.256	C1	C2	H8	118.603
C2	C1	H6	121.615	C2	C1	H7	121.967
C2	C3	C4	126.889	C2	C3	H9	115.320
C3	C2	H8	118.141	C3	C4	C5	127.419
C3	C4	H10	117.682	C4	C3	H9	117.791
C4	C5	H11	112.265	C4	C5	H12	110.748
C4	C5	H13	110.748	C5	C4	H10	114.899
H6	C1	H7	116.418	H11	C5	H12	107.815
H11	C5	H13	107.815	H12	C5	H13	107.249

All results from a given calculation for C₅H₈ (1,3-Pentadiene, (Z)-)

using model chemistry: MP2=FULL/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 C5H8 (1,3-Pentadiene, (Z)-)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₅H₈ (1,3-Pentadiene, (Z)-)