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	hartrees
Energy at 0K	-192.728202
Energy at 298.15K
HF Energy	-192.444561
Nuclear repulsion energy	122.341522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3145	0.00
2	A₁	1939	1939	0.00
3	A₁	1449	1449	0.00
4	A₁	749	749	0.00
5	B₁	700	700	0.00
6	B₂	3145	3145	0.41
7	B₂	2207	2207	192.07
8	B₂	1516	1516	17.09
9	B₂	1325	1325	12.24
10	E	3225	3225	0.10
10	E	3225	3225	0.10
11	E	1015	1015	0.02
11	E	1015	1015	0.02
12	E	855	855	54.75
12	E	855	855	54.75
13	E	534	534	0.74
13	E	534	534	0.74
14	E	335	335	0.10
14	E	335	335	0.10
15	E	151	151	4.63
15	E	151	151	4.63

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	2.585
C5	0.000	0.000	-2.585
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		1.2742	1.2742	2.5852	2.5852	3.2778	3.2778	3.2778	3.2778
C2	1.2742		2.5484	1.3110	3.8594	2.0868	2.0868	4.5145	4.5145
C3	1.2742	2.5484		3.8594	1.3110	4.5145	4.5145	2.0868	2.0868
C4	2.5852	1.3110	3.8594		5.1704	1.0815	1.0815	5.8039	5.8039
C5	2.5852	3.8594	1.3110	5.1704		5.8039	5.8039	1.0815	1.0815
H6	3.2778	2.0868	4.5145	1.0815	5.8039		1.8514	6.4236	6.4236
H7	3.2778	2.0868	4.5145	1.0815	5.8039	1.8514		6.4236	6.4236
H8	3.2778	4.5145	2.0868	5.8039	1.0815	6.4236	6.4236		1.8514
H9	3.2778	4.5145	2.0868	5.8039	1.0815	6.4236	6.4236	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	121.135
C2	C4	H7	121.135	C3	C5	H8	121.135
C3	C5	H9	121.135	H6	C4	H7	117.730
H8	C5	H9	117.730

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)