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	hartrees
Energy at 0K	-192.225522
Energy at 298.15K	-192.226916
HF Energy	-191.528371
Nuclear repulsion energy	121.909487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3244	0.00
2	A₁	1992	1992	0.00
3	A₁	1505	1505	0.00
4	A₁	765	765	0.00
5	B₁	713	713	0.00
6	B₂	3243	3243	3.05
7	B₂	2274	2274	74.26
8	B₂	1577	1577	0.92
9	B₂	1361	1361	5.98
10	E	3333	3333	2.54
10	E	3333	3333	2.54
11	E	1051	1051	0.01
11	E	1051	1051	0.01
12	E	873	873	50.44
12	E	873	873	50.44
13	E	470	470	0.01
13	E	470	470	0.01
14	E	325	325	0.19
14	E	325	325	0.19
15	E	159	159	2.56
15	E	159	159	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.281
C3	0.000	0.000	-1.281
C4	0.000	0.000	2.596
C5	0.000	0.000	-2.596
H6	0.000	0.923	3.156
H7	0.000	-0.923	3.156
H8	0.923	0.000	-3.156
H9	-0.923	0.000	-3.156

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2812	1.2812	2.5962	2.5962	3.2879	3.2879	3.2879	3.2879
C2	1.2812		2.5623	1.3150	3.8773	2.0894	2.0894	4.5318	4.5318
C3	1.2812	2.5623		3.8773	1.3150	4.5318	4.5318	2.0894	2.0894
C4	2.5962	1.3150	3.8773		5.1924	1.0795	1.0795	5.8254	5.8254
C5	2.5962	3.8773	1.3150	5.1924		5.8254	5.8254	1.0795	1.0795
H6	3.2879	2.0894	4.5318	1.0795	5.8254		1.8464	6.4448	6.4448
H7	3.2879	2.0894	4.5318	1.0795	5.8254	1.8464		6.4448	6.4448
H8	3.2879	4.5318	2.0894	5.8254	1.0795	6.4448	6.4448		1.8464
H9	3.2879	4.5318	2.0894	5.8254	1.0795	6.4448	6.4448	1.8464

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	121.213
C2	C4	H7	121.213	C3	C5	H8	121.213
C3	C5	H9	121.213	H6	C4	H7	117.574
H8	C5	H9	117.574

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)