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	hartrees
Energy at 0K	-193.306658
Energy at 298.15K	-193.313992
HF Energy	-192.857692
Nuclear repulsion energy	155.795689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3078	4.79
2	A	3171	3016	25.60
3	A	3164	3010	13.98
4	A	3163	3009	11.43
5	A	3163	3009	12.07
6	A	3109	2958	13.33
7	A	3091	2940	14.74
8	A	3076	2926	22.72
9	A	2031	1932	9.83
10	A	1603	1525	4.21
11	A	1600	1522	6.13
12	A	1588	1511	0.37
13	A	1558	1482	1.13
14	A	1495	1422	5.50
15	A	1445	1374	8.34
16	A	1370	1303	4.19
17	A	1357	1291	0.00
18	A	1179	1121	0.46
19	A	1174	1117	2.06
20	A	1114	1060	3.09
21	A	1107	1053	0.24
22	A	1007	958	0.52
23	A	955	909	15.36
24	A	940	894	64.03
25	A	841	800	5.12
26	A	834	793	1.03
27	A	643	612	1.43
28	A	543	516	6.49
29	A	359	342	3.64
30	A	290	276	5.62
31	A	263	250	0.06
32	A	148	141	0.37
33	A	87	83	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.403	0.501	-0.000
C2	1.468	-1.046	0.000
C3	-0.031	1.040	0.000
C4	-1.112	0.288	-0.001
C5	-2.197	-0.459	0.000
H6	1.925	0.892	-0.883
H7	1.924	0.892	0.883
H8	0.967	-1.448	0.887
H9	2.510	-1.384	0.000
H10	0.967	-1.448	-0.886
H11	-0.136	2.125	0.002
H12	-2.669	-0.785	0.924
H13	-2.671	-0.785	-0.923

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5483	1.5312	2.5237	3.7257	1.0982	1.0981	2.1844	2.1856	2.1844	2.2376	4.3683	4.3701
C2	1.5483		2.5685	2.9047	3.7120	2.1789	2.1787	1.0944	1.0952	1.0943	3.5540	4.2467	4.2487
C3	1.5312	2.5685		1.3171	2.6347	2.1506	2.1502	2.8228	3.5110	2.8231	1.0904	3.3379	3.3395
C4	2.5237	2.9047	1.3171		1.3176	3.2195	3.2199	2.8503	3.9892	2.8497	2.0800	2.1047	2.1049
C5	3.7257	3.7120	2.6347	1.3176		4.4269	4.4267	3.4318	4.7971	3.4320	3.3054	1.0872	1.0872
H6	1.0982	2.1789	2.1506	3.2195	4.4269		1.7664	3.0863	2.5108	2.5285	2.5592	5.2132	4.8922
H7	1.0981	2.1787	2.1502	3.2199	4.4267	1.7664		2.5282	2.5105	3.0860	2.5581	4.8899	5.2146
H8	2.1844	1.0944	2.8228	2.8503	3.4318	3.0863	2.5282		1.7803	1.7729	3.8425	3.6961	4.1171
H9	2.1856	1.0952	3.5110	3.9892	4.7971	2.5108	2.5105	1.7803		1.7803	4.3947	5.2944	5.2965
H10	2.1844	1.0943	2.8231	2.8497	3.4320	2.5285	3.0860	1.7729	1.7803		3.8433	4.1157	3.6985
H11	2.2376	3.5540	1.0904	2.0800	3.3054	2.5592	2.5581	3.8425	4.3947	3.8433		3.9660	3.9679
H12	4.3683	4.2467	3.3379	2.1047	1.0872	5.2132	4.8899	3.6961	5.2944	4.1157	3.9660		1.8470
H13	4.3701	4.2487	3.3395	2.1049	1.0872	4.8922	5.2146	4.1171	5.2965	3.6985	3.9679	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H8	110.316	C1	C2	H9	110.361
C1	C2	H10	110.315	C1	C3	C4	124.586
C1	C3	H11	116.183	C2	C1	C3	113.032
C2	C1	H6	109.665	C2	C1	H7	109.648
C3	C1	H6	108.630	C3	C1	H7	108.602
C3	C4	C5	179.727	C4	C3	H11	119.231
C4	C5	H12	121.840	C4	C5	H13	121.861
H6	C1	H7	107.081	H8	C2	H9	108.797
H8	C2	H10	108.197	H9	C2	H10	108.799
H12	C5	H13	116.299

All results from a given calculation for C₅H₈ (1,2-Pentadiene)

using model chemistry: MP2/3-21G*

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 (1,2-Pentadiene)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₅H₈ (1,2-Pentadiene)