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	hartrees
Energy at 0K	-192.301686
Energy at 298.15K	-192.303030
HF Energy	-191.557555
Nuclear repulsion energy	121.601316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	2998	0.00
2	A₁	1931	1829	0.00
3	A₁	1453	1376	0.00
4	A₁	739	700	0.00
5	B₁	708	670	0.00
6	B₂	3165	2997	0.01
7	B₂	2210	2093	112.93
8	B₂	1513	1433	5.17
9	B₂	1320	1250	3.28
10	E	3256	3084	0.43
10	E	3256	3084	0.43
11	E	1013	959	0.47
11	E	1013	959	0.47
12	E	822	778	62.75
12	E	822	778	62.75
13	E	484	459	0.16
13	E	484	459	0.16
14	E	322	305	0.19
14	E	322	305	0.19
15	E	155	147	4.41
15	E	155	147	4.41

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	2.602
C5	0.000	0.000	-2.602
H6	0.000	0.930	3.164
H7	0.000	-0.930	3.164
H8	0.930	0.000	-3.164
H9	-0.930	0.000	-3.164

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2814	1.2814	2.6018	2.6018	3.2974	3.2974	3.2974	3.2974
C2	1.2814		2.5628	1.3204	3.8832	2.0993	2.0993	4.5412	4.5412
C3	1.2814	2.5628		3.8832	1.3204	4.5412	4.5412	2.0993	2.0993
C4	2.6018	1.3204	3.8832		5.2035	1.0863	1.0863	5.8399	5.8399
C5	2.6018	3.8832	1.3204	5.2035		5.8399	5.8399	1.0863	1.0863
H6	3.2974	2.0993	4.5412	1.0863	5.8399		1.8594	6.4624	6.4624
H7	3.2974	2.0993	4.5412	1.0863	5.8399	1.8594		6.4624	6.4624
H8	3.2974	4.5412	2.0993	5.8399	1.0863	6.4624	6.4624		1.8594
H9	3.2974	4.5412	2.0993	5.8399	1.0863	6.4624	6.4624	1.8594

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	121.147
C2	C4	H7	121.147	C3	C5	H8	121.147
C3	C5	H9	121.147	H6	C4	H7	117.707
H8	C5	H9	117.707

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)