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	hartrees
Energy at 0K	-194.630148
Energy at 298.15K	-194.637468
HF Energy	-193.947855
Nuclear repulsion energy	155.768767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3120	1.42
2	A	3188	3037	22.05
3	A	3187	3036	25.44
4	A	3182	3031	6.92
5	A	3177	3026	1.93
6	A	3117	2969	15.91
7	A	3088	2941	16.78
8	A	3071	2925	34.88
9	A	2046	1949	10.99
10	A	1500	1429	4.29
11	A	1492	1421	6.95
12	A	1484	1414	0.14
13	A	1472	1402	2.37
14	A	1415	1348	3.09
15	A	1364	1300	13.94
16	A	1350	1286	0.22
17	A	1288	1226	0.04
18	A	1154	1099	1.49
19	A	1102	1050	2.09
20	A	1095	1043	2.22
21	A	1017	968	0.31
22	A	1002	955	0.43
23	A	892	849	14.02
24	A	878	836	8.55
25	A	850	810	43.01
26	A	793	755	2.58
27	A	626	596	2.04
28	A	514	489	4.93
29	A	356	339	2.63
30	A	325	310	5.08
31	A	273	260	0.02
32	A	149	142	0.30
33	A	102	97	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.396	0.489	0.000
C2	1.469	-1.037	-0.000
C3	-0.018	1.037	0.000
C4	-1.112	0.289	-0.001
C5	-2.206	-0.459	0.000
H6	1.926	0.895	-0.882
H7	1.926	0.894	0.883
H8	0.969	-1.454	0.889
H9	2.518	-1.377	0.000
H10	0.969	-1.453	-0.890
H11	-0.139	2.129	0.001
H12	-2.672	-0.776	0.940
H13	-2.674	-0.777	-0.938

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5278	1.5156	2.5157	3.7238	1.1065	1.1065	2.1789	2.1777	2.1788	2.2460	4.3619	4.3635
C2	1.5278		2.5515	2.9022	3.7201	2.1718	2.1718	1.1024	1.1021	1.1024	3.5511	4.2544	4.2557
C3	1.5156	2.5515		1.3253	2.6499	2.1395	2.1394	2.8222	3.5005	2.8223	1.0993	3.3483	3.3498
C4	2.5157	2.9022	1.3253		1.3246	3.2210	3.2214	2.8566	3.9940	2.8563	2.0813	2.1098	2.1099
C5	3.7238	3.7201	2.6499	1.3246		4.4363	4.4361	3.4433	4.8116	3.4438	3.3114	1.0957	1.0956
H6	1.1065	2.1718	2.1395	3.2210	4.4363		1.7648	3.0933	2.5078	2.5355	2.5631	5.2202	4.8942
H7	1.1065	2.1718	2.1394	3.2214	4.4361	1.7648		2.5356	2.5077	3.0933	2.5628	4.8921	5.2214
H8	2.1789	1.1024	2.8222	2.8566	3.4433	3.0933	2.5356		1.7875	1.7789	3.8540	3.7034	4.1308
H9	2.1777	1.1021	3.5005	3.9940	4.8116	2.5078	2.5077	1.7875		1.7875	4.3991	5.3079	5.3093
H10	2.1788	1.1024	2.8223	2.8563	3.4438	2.5355	3.0933	1.7789	1.7875		3.8542	4.1305	3.7053
H11	2.2460	3.5511	1.0993	2.0813	3.3114	2.5631	2.5628	3.8540	4.3991	3.8542		3.9666	3.9681
H12	4.3619	4.2544	3.3483	2.1098	1.0957	5.2202	4.8921	3.7034	5.3079	4.1305	3.9666		1.8776
H13	4.3635	4.2557	3.3498	2.1099	1.0956	4.8942	5.2214	4.1308	5.3093	3.7053	3.9681	1.8776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H8	110.838	C1	C2	H9	110.762
C1	C2	H10	110.833	C1	C3	C4	124.505
C1	C3	H11	117.516	C2	C1	C3	113.938
C2	C1	H6	110.034	C2	C1	H7	110.034
C3	C1	H6	108.358	C3	C1	H7	108.351
C3	C4	C5	179.897	C4	C3	H11	117.979
C4	C5	H12	121.025	C4	C5	H13	121.044
H6	C1	H7	105.785	H8	C2	H9	108.360
H8	C2	H10	107.574	H9	C2	H10	108.361
H12	C5	H13	117.931

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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