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	hartrees
Energy at 0K	-194.804087
Energy at 298.15K	-194.811359
HF Energy	-194.002679
Nuclear repulsion energy	154.695400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3240	3142
2	A'	3173	3077
3	A'	3159	3063
4	A'	3143	3048
5	A'	3141	3046
6	A'	3130	3035
7	A'	3036	2944
8	A'	1696	1645
9	A'	1630	1580
10	A'	1506	1460
11	A'	1470	1425
12	A'	1425	1382
13	A'	1384	1342
14	A'	1312	1272
15	A'	1278	1239
16	A'	1187	1151
17	A'	1059	1027
18	A'	965	935
19	A'	891	864
20	A'	607	589
21	A'	383	371
22	A'	220	214
23	A"	3095	3001
24	A"	1492	1447
25	A"	1057	1025
26	A"	997	967
27	A"	937	909
28	A"	868	842
29	A"	764	741
30	A"	612	593
31	A"	333	323
32	A"	114	111
33	A"	103	100

Atom	x (Å)	y (Å)	z (Å)
C1	2.405	0.153	0.000
C2	1.106	-0.218	0.000
C3	0.000	0.746	0.000
C4	-1.324	0.457	0.000
C5	-1.957	-0.912	0.000
H6	2.690	1.205	0.000
H7	3.207	-0.581	0.000
H8	0.863	-1.281	0.000
H9	0.294	1.798	0.000
H10	-2.021	1.297	0.000
H11	-1.217	-1.718	0.000
H12	-2.597	-1.037	0.884
H13	-2.597	-1.037	-0.884

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3518	2.4772	3.7414	4.4906	1.0898	1.0876	2.1065	2.6765	4.5720	4.0770	5.2176	5.2176
C2	1.3518		1.4671	2.5215	3.1403	2.1302	2.1329	1.0901	2.1738	3.4749	2.7645	3.8939	3.8939
C3	2.4772	1.4671		1.3550	2.5652	2.7290	3.4711	2.2030	1.0925	2.0952	2.7483	3.2721	3.2721
C4	3.7414	2.5215	1.3550		1.5086	4.0831	4.6486	2.7931	2.1014	1.0920	2.1779	2.1529	2.1529
C5	4.4906	3.1403	2.5652	1.5086		5.1069	5.1751	2.8437	3.5233	2.2104	1.0945	1.0988	1.0988
H6	1.0898	2.1302	2.7290	4.0831	5.1069		1.8597	3.0857	2.4685	4.7124	4.8796	5.8108	5.8108
H7	1.0876	2.1329	3.4711	4.6486	5.1751	1.8597		2.4470	3.7616	5.5559	4.5679	5.8892	5.8892
H8	2.1065	1.0901	2.2030	2.7931	2.8437	3.0857	2.4470		3.1314	3.8684	2.1248	3.5794	3.5794
H9	2.6765	2.1738	1.0925	2.1014	3.5233	2.4685	3.7616	3.1314		2.3689	3.8273	4.1447	4.1447
H10	4.5720	3.4749	2.0952	1.0920	2.2104	4.7124	5.5559	3.8684	2.3689		3.1210	2.5615	2.5615
H11	4.0770	2.7645	2.7483	2.1779	1.0945	4.8796	4.5679	2.1248	3.8273	3.1210		1.7755	1.7755
H12	5.2176	3.8939	3.2721	2.1529	1.0988	5.8108	5.8892	3.5794	4.1447	2.5615	1.7755		1.7686
H13	5.2176	3.8939	3.2721	2.1529	1.0988	5.8108	5.8892	3.5794	4.1447	2.5615	1.7755	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.938	C1	C2	H8	118.840
C2	C1	H6	121.116	C2	C1	H7	121.557
C2	C3	C4	126.584	C2	C3	H9	115.496
C3	C2	H8	118.222	C3	C4	C5	127.136
C3	C4	H10	117.384	C4	C3	H9	117.920
C4	C5	H11	112.610	C4	C5	H12	110.330
C4	C5	H13	110.330	C5	C4	H10	115.480
H6	C1	H7	117.327	H11	C5	H12	108.099
H11	C5	H13	108.099	H12	C5	H13	107.184

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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