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	hartrees
Energy at 0K	-191.920532
Energy at 298.15K
HF Energy	-191.454150
Nuclear repulsion energy	120.554187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3159	0.00
2	A₁	1938	1938	0.00
3	A₁	1515	1515	0.00
4	A₁	742	742	0.00
5	B₁	716	716	0.00
6	B₂	3158	3158	8.34
7	B₂	2231	2231	40.53
8	B₂	1557	1557	1.82
9	B₂	1339	1339	4.29
10	E	3235	3235	8.39
10	E	3235	3235	8.39
11	E	1070	1070	0.15
11	E	1070	1070	0.15
12	E	911	911	62.91
12	E	911	911	62.91
13	E	242	242	0.81
13	E	242	242	0.81
14	E	120	120	2.58
14	E	120	120	2.58
15	E	684i	684i	0.08
15	E	684i	684i	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.294
C3	0.000	0.000	-1.294
C4	0.000	0.000	2.625
C5	0.000	0.000	-2.625
H6	0.000	0.926	3.200
H7	0.000	-0.926	3.200
H8	0.926	0.000	-3.200
H9	-0.926	0.000	-3.200

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2944	1.2944	2.6254	2.6254	3.3312	3.3312	3.3312	3.3312
C2	1.2944		2.5887	1.3310	3.9197	2.1187	2.1187	4.5887	4.5887
C3	1.2944	2.5887		3.9197	1.3310	4.5887	4.5887	2.1187	2.1187
C4	2.6254	1.3310	3.9197		5.2508	1.0901	1.0901	5.8984	5.8984
C5	2.6254	3.9197	1.3310	5.2508		5.8984	5.8984	1.0901	1.0901
H6	3.3312	2.1187	4.5887	1.0901	5.8984		1.8530	6.5323	6.5323
H7	3.3312	2.1187	4.5887	1.0901	5.8984	1.8530		6.5323	6.5323
H8	3.3312	4.5887	2.1187	5.8984	1.0901	6.5323	6.5323		1.8530
H9	3.3312	4.5887	2.1187	5.8984	1.0901	6.5323	6.5323	1.8530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	121.798
C2	C4	H7	121.798	C3	C5	H8	121.798
C3	C5	H9	121.798	H6	C4	H7	116.403
H8	C5	H9	116.403

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP3=FULL/6-31G

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 C5H4 (pentatetraene)

using model chemistry: MP3=FULL/6-31G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)