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	hartrees
Energy at 0K	-194.670374
Energy at 298.15K	-194.677668
HF Energy	-193.951330
Nuclear repulsion energy	156.767125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3313	3112	1.49
2	A	3223	3027	25.04
3	A	3221	3025	27.98
4	A	3221	3025	4.61
5	A	3218	3022	7.12
6	A	3152	2960	13.38
7	A	3124	2934	19.42
8	A	3107	2918	34.29
9	A	2054	1929	18.04
10	A	1548	1454	5.84
11	A	1540	1447	8.20
12	A	1532	1438	0.25
13	A	1518	1425	2.54
14	A	1462	1373	4.70
15	A	1407	1321	14.42
16	A	1377	1293	0.17
17	A	1313	1233	0.26
18	A	1172	1101	1.23
19	A	1131	1062	2.35
20	A	1118	1050	2.51
21	A	1043	979	0.76
22	A	1017	955	0.40
23	A	916	861	17.42
24	A	883	829	23.86
25	A	868	816	40.25
26	A	812	762	2.35
27	A	636	597	4.12
28	A	521	490	4.91
29	A	362	340	4.32
30	A	314	295	10.50
31	A	264	248	0.01
32	A	153	144	0.74
33	A	72	68	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.386	0.494	-0.000
C2	1.478	-1.025	0.000
C3	-0.026	1.024	0.001
C4	-1.109	0.276	-0.001
C5	-2.201	-0.456	0.000
H6	1.904	0.897	-0.874
H7	1.906	0.898	0.872
H8	0.993	-1.443	0.880
H9	2.519	-1.345	-0.001
H10	0.991	-1.443	-0.879
H11	-0.151	2.102	0.002
H12	-2.665	-0.770	0.926
H13	-2.667	-0.769	-0.925

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5213	1.5085	2.5048	3.7115	1.0929	1.0929	2.1632	2.1592	2.1633	2.2252	4.3436	4.3450
C2	1.5213		2.5416	2.8959	3.7234	2.1540	2.1540	1.0886	1.0886	1.0886	3.5262	4.2530	4.2549
C3	1.5085	2.5416		1.3159	2.6313	2.1230	2.1230	2.8096	3.4764	2.8096	1.0858	3.3222	3.3235
C4	2.5048	2.8959	1.3159		1.3154	3.1982	3.1995	2.8542	3.9734	2.8526	2.0620	2.0913	2.0914
C5	3.7115	3.7234	2.6313	1.3154		4.4107	4.4118	3.4568	4.8032	3.4553	3.2787	1.0816	1.0816
H6	1.0929	2.1540	2.1230	3.1982	4.4107		1.7461	3.0631	2.4832	2.5123	2.5386	5.1861	4.8658
H7	1.0929	2.1540	2.1230	3.1995	4.4118	1.7461		2.5122	2.4833	3.0632	2.5376	4.8657	5.1882
H8	2.1632	1.0886	2.8096	2.8542	3.4568	3.0631	2.5122		1.7649	1.7591	3.8270	3.7192	4.1358
H9	2.1592	1.0886	3.4764	3.9734	4.8032	2.4832	2.4833	1.7649		1.7649	4.3601	5.2972	5.2989
H10	2.1633	1.0886	2.8096	2.8526	3.4553	2.5123	3.0632	1.7591	1.7649		3.8276	4.1323	3.7200
H11	2.2252	3.5262	1.0858	2.0620	3.2787	2.5386	2.5376	3.8270	4.3601	3.8276		3.9270	3.9283
H12	4.3436	4.2530	3.3222	2.0913	1.0816	5.1861	4.8657	3.7192	5.2972	4.1323	3.9270		1.8505
H13	4.3450	4.2549	3.3235	2.0914	1.0816	4.8658	5.1882	4.1358	5.2989	3.7200	3.9283	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H8	110.871	C1	C2	H9	110.552
C1	C2	H10	110.879	C1	C3	C4	124.811
C1	C3	H11	117.195	C2	C1	C3	114.036
C2	C1	H6	109.883	C2	C1	H7	109.887
C3	C1	H6	108.334	C3	C1	H7	108.331
C3	C4	C5	179.217	C4	C3	H11	117.994
C4	C5	H12	121.184	C4	C5	H13	121.198
H6	C1	H7	106.046	H8	C2	H9	108.319
H8	C2	H10	107.797	H9	C2	H10	108.318
H12	C5	H13	117.618

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

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

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=FULL/6-31+G**

States and conformations

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