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	hartrees
Energy at 0K	-192.167474
Energy at 298.15K	-192.168867
HF Energy	-191.520093
Nuclear repulsion energy	121.575533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3009	0.00
2	A₁	1954	1841	0.00
3	A₁	1480	1394	0.00
4	A₁	753	709	0.00
5	B₁	713	672	0.00
6	B₂	3194	3009	0.03
7	B₂	2232	2103	87.69
8	B₂	1539	1450	1.29
9	B₂	1345	1267	3.60
10	E	3279	3090	0.92
10	E	3279	3090	0.92
11	E	1035	976	0.37
11	E	1035	976	0.37
12	E	850	801	60.45
12	E	850	801	60.45
13	E	480	453	0.02
13	E	480	453	0.02
14	E	336	316	0.16
14	E	336	316	0.16
15	E	159	150	2.96
15	E	159	150	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.282
C3	0.000	0.000	-1.282
C4	0.000	0.000	2.602
C5	0.000	0.000	-2.602
H6	0.000	0.928	3.168
H7	0.000	-0.928	3.168
H8	0.928	0.000	-3.168
H9	-0.928	0.000	-3.168

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2823	1.2823	2.6017	2.6017	3.3011	3.3011	3.3011	3.3011
C2	1.2823		2.5647	1.3193	3.8840	2.1015	2.1015	4.5461	4.5461
C3	1.2823	2.5647		3.8840	1.3193	4.5461	4.5461	2.1015	2.1015
C4	2.6017	1.3193	3.8840		5.2033	1.0868	1.0868	5.8439	5.8439
C5	2.6017	3.8840	1.3193	5.2033		5.8439	5.8439	1.0868	1.0868
H6	3.3011	2.1015	4.5461	1.0868	5.8439		1.8550	6.4706	6.4706
H7	3.3011	2.1015	4.5461	1.0868	5.8439	1.8550		6.4706	6.4706
H8	3.3011	4.5461	2.1015	5.8439	1.0868	6.4706	6.4706		1.8550
H9	3.3011	4.5461	2.1015	5.8439	1.0868	6.4706	6.4706	1.8550

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	121.415
C2	C4	H7	121.415	C3	C5	H8	121.415
C3	C5	H9	121.415	H6	C4	H7	117.170
H8	C5	H9	117.170

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)