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	hartrees
Energy at 0K	-192.351317
Energy at 298.15K	-192.352767
HF Energy	-191.545432
Nuclear repulsion energy	122.389425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3009	0.00
2	A₁	1982	1867	0.00
3	A₁	1471	1385	0.00
4	A₁	755	711	0.00
5	B₁	704	663	0.00
6	B₂	3195	3009	0.28
7	B₂	2274	2141	96.36
8	B₂	1544	1454	2.96
9	B₂	1344	1266	4.45
10	E	3281	3089	0.40
10	E	3281	3089	0.40
11	E	1036	976	0.01
11	E	1036	976	0.01
12	E	881	830	45.47
12	E	881	830	45.47
13	E	540	508	0.16
13	E	540	508	0.16
14	E	327	307	0.18
14	E	327	307	0.18
15	E	143	134	3.06
15	E	143	134	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.274
C3	0.000	0.000	-1.274
C4	0.000	0.000	2.583
C5	0.000	0.000	-2.583
H6	0.000	0.926	3.144
H7	0.000	-0.926	3.144
H8	0.926	0.000	-3.144
H9	-0.926	0.000	-3.144

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2745	1.2745	2.5834	2.5834	3.2777	3.2777	3.2777	3.2777
C2	1.2745		2.5490	1.3089	3.8578	2.0864	2.0864	4.5147	4.5147
C3	1.2745	2.5490		3.8578	1.3089	4.5147	4.5147	2.0864	2.0864
C4	2.5834	1.3089	3.8578		5.1667	1.0824	1.0824	5.8019	5.8019
C5	2.5834	3.8578	1.3089	5.1667		5.8019	5.8019	1.0824	1.0824
H6	3.2777	2.0864	4.5147	1.0824	5.8019		1.8514	6.4233	6.4233
H7	3.2777	2.0864	4.5147	1.0824	5.8019	1.8514		6.4233	6.4233
H8	3.2777	4.5147	2.0864	5.8019	1.0824	6.4233	6.4233		1.8514
H9	3.2777	4.5147	2.0864	5.8019	1.0824	6.4233	6.4233	1.8514

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	121.212
C2	C4	H7	121.212	C3	C5	H8	121.212
C3	C5	H9	121.212	H6	C4	H7	117.575
H8	C5	H9	117.575

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)