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	hartrees
Energy at 0K	-194.853304
Energy at 298.15K	-194.860719
HF Energy	-194.029452
Nuclear repulsion energy	155.555894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	3125	8.48
2	A	3194	3039	7.72
3	A	3187	3032	29.77
4	A	3181	3027	3.43
5	A	3175	3021	8.07
6	A	3164	3011	6.90
7	A	3138	2986	12.39
8	A	3067	2918	23.64
9	A	1705	1622	5.53
10	A	1674	1593	7.27
11	A	1506	1433	12.15
12	A	1494	1421	6.84
13	A	1460	1389	4.36
14	A	1417	1348	1.23
15	A	1344	1278	0.07
16	A	1327	1262	0.73
17	A	1310	1246	0.70
18	A	1151	1095	0.74
19	A	1078	1025	0.65
20	A	1067	1015	1.55
21	A	1030	980	26.93
22	A	1013	964	16.13
23	A	993	945	18.33
24	A	931	886	33.44
25	A	911	867	7.87
26	A	823	783	1.31
27	A	663	630	7.18
28	A	570	542	3.40
29	A	387	368	1.73
30	A	251	239	2.24
31	A	218	207	1.25
32	A	180	171	1.18
33	A	146	139	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	2.151	-0.607	-0.114
C2	1.459	0.517	0.107
C3	0.012	0.662	-0.093
C4	-0.888	-0.292	0.175
C5	-2.360	-0.156	-0.049
H6	1.671	-1.498	-0.498
H7	3.213	-0.657	0.075
H8	1.985	1.402	0.449
H9	-0.330	1.622	-0.468
H10	-0.543	-1.231	0.596
H11	-2.607	0.823	-0.457
H12	-2.717	-0.917	-0.744
H13	-2.909	-0.291	0.883

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3380	2.4863	3.0688	4.5337	1.0821	1.0806	2.0921	3.3534	2.8544	4.9791	4.9178	5.1669
C2	1.3380		1.4672	2.4833	3.8807	2.1142	2.1117	1.0848	2.1797	2.7019	4.1154	4.4960	4.5092
C3	2.4863	1.4672		1.3390	2.5098	2.7532	3.4663	2.1757	1.0858	2.0897	2.6489	3.2193	3.2242
C4	3.0688	2.4833	1.3390		1.4950	2.9084	4.1191	3.3468	2.0944	1.0858	2.1435	2.1397	2.1414
C5	4.5337	3.8807	2.5098	1.4950		4.2727	5.5974	4.6429	2.7302	2.2082	1.0885	1.0904	1.0902
H6	1.0821	2.1142	2.7532	2.9084	4.2727		1.8470	3.0660	3.7064	2.4836	4.8670	4.4334	4.9343
H7	1.0806	2.1117	3.4663	4.1191	5.5974	1.8470		2.4263	4.2480	3.8352	6.0287	5.9920	6.1867
H8	2.0921	1.0848	2.1757	3.3468	4.6429	3.0660	2.4263		2.5002	3.6531	4.7160	5.3766	5.1971
H9	3.3534	2.1797	1.0858	2.0944	2.7302	3.7064	4.2480	2.5002		3.0522	2.4123	3.4949	3.4831
H10	2.8544	2.7019	2.0897	1.0858	2.2082	2.4836	3.8352	3.6531	3.0522		3.0964	2.5730	2.5631
H11	4.9791	4.1154	2.6489	2.1435	1.0885	4.8670	6.0287	4.7160	2.4123	3.0964		1.7666	1.7682
H12	4.9178	4.4960	3.2193	2.1397	1.0904	4.4334	5.9920	5.3766	3.4949	2.5730	1.7666		1.7538
H13	5.1669	4.5092	3.2242	2.1414	1.0902	4.9343	6.1867	5.1971	3.4831	2.5631	1.7682	1.7538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.767	C1	C2	H8	119.057
C2	C1	H6	121.404	C2	C1	H7	121.283
C2	C3	C4	124.426	C2	C3	H9	116.452
C3	C2	H8	116.172	C3	C4	C5	124.558
C3	C4	H10	118.672	C4	C3	H9	119.112
C4	C5	H11	111.160	C4	C5	H12	110.733
C4	C5	H13	110.885	C5	C4	H10	116.766
H6	C1	H7	117.309	H11	C5	H12	108.340
H11	C5	H13	108.504	H12	C5	H13	107.081

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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