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	hartrees
Energy at 0K	-192.249807
Energy at 298.15K	-192.251462
HF Energy	-191.597299
Nuclear repulsion energy	123.106650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3256	0.00
2	A₁	2040	2040	0.00
3	A₁	1510	1510	0.00
4	A₁	782	782	0.00
5	B₁	729	729	0.00
6	B₂	3255	3255	0.01
7	B₂	2339	2339	244.57
8	B₂	1595	1595	13.43
9	B₂	1380	1380	11.03
10	E	3343	3343	0.02
10	E	3343	3343	0.02
11	E	1064	1064	0.26
11	E	1064	1064	0.26
12	E	940	940	55.07
12	E	940	940	55.07
13	E	561	561	0.73
13	E	561	561	0.73
14	E	356	356	0.08
14	E	356	356	0.08
15	E	156	156	5.02
15	E	156	156	5.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.269
C3	0.000	0.000	-1.269
C4	0.000	0.000	2.569
C5	0.000	0.000	-2.569
H6	0.000	0.922	3.121
H7	0.000	-0.922	3.121
H8	0.922	0.000	-3.121
H9	-0.922	0.000	-3.121

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2686	1.2686	2.5691	2.5691	3.2540	3.2540	3.2540	3.2540
C2	1.2686		2.5371	1.3006	3.8377	2.0689	2.0689	4.4850	4.4850
C3	1.2686	2.5371		3.8377	1.3006	4.4850	4.4850	2.0689	2.0689
C4	2.5691	1.3006	3.8377		5.1383	1.0744	1.0744	5.7640	5.7640
C5	2.5691	3.8377	1.3006	5.1383		5.7640	5.7640	1.0744	1.0744
H6	3.2540	2.0689	4.4850	1.0744	5.7640		1.8442	6.3761	6.3761
H7	3.2540	2.0689	4.4850	1.0744	5.7640	1.8442		6.3761	6.3761
H8	3.2540	4.4850	2.0689	5.7640	1.0744	6.3761	6.3761		1.8442
H9	3.2540	4.4850	2.0689	5.7640	1.0744	6.3761	6.3761	1.8442

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	120.883
C2	C4	H7	120.883	C3	C5	H8	120.883
C3	C5	H9	120.883	H6	C4	H7	118.234
H8	C5	H9	118.234

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CID/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 C5H4 (pentatetraene)

using model chemistry: CID/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)