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	hartrees
Energy at 0K	-190.904216
Energy at 298.15K
HF Energy	-190.457047
Nuclear repulsion energy	121.257228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	2991	0.00
2	A₁	1910	1810	0.00
3	A₁	1528	1448	0.00
4	A₁	735	696	0.00
5	B₁	732	694	0.00
6	B₂	3155	2991	0.11
7	B₂	2212	2097	66.98
8	B₂	1555	1474	0.81
9	B₂	1329	1260	4.73
10	E	3231	3063	2.34
10	E	3231	3063	2.34
11	E	1089	1033	1.24
11	E	1089	1033	1.24
12	E	905	858	67.73
12	E	905	858	67.73
13	E	276	262	0.40
13	E	276	262	0.40
14	E	132	125	3.49
14	E	132	125	3.49
15	E	503i	477i	0.00
15	E	503i	477i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.284
C3	0.000	0.000	-1.284
C4	0.000	0.000	2.609
C5	0.000	0.000	-2.609
H6	0.000	0.925	3.182
H7	0.000	-0.925	3.182
H8	0.925	0.000	-3.182
H9	-0.925	0.000	-3.182

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2840	1.2840	2.6093	2.6093	3.3132	3.3132	3.3132	3.3132
C2	1.2840		2.5680	1.3253	3.8932	2.1109	2.1109	4.5603	4.5603
C3	1.2840	2.5680		3.8932	1.3253	4.5603	4.5603	2.1109	2.1109
C4	2.6093	1.3253	3.8932		5.2185	1.0875	1.0875	5.8642	5.8642
C5	2.6093	3.8932	1.3253	5.2185		5.8642	5.8642	1.0875	1.0875
H6	3.3132	2.1109	4.5603	1.0875	5.8642		1.8496	6.4961	6.4961
H7	3.3132	2.1109	4.5603	1.0875	5.8642	1.8496		6.4961	6.4961
H8	3.3132	4.5603	2.1109	5.8642	1.0875	6.4961	6.4961		1.8496
H9	3.3132	4.5603	2.1109	5.8642	1.0875	6.4961	6.4961	1.8496

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	121.750
C2	C4	H7	121.750	C3	C5	H8	121.750
C3	C5	H9	121.750	H6	C4	H7	116.500
H8	C5	H9	116.500

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)