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	hartrees
Energy at 0K	-192.360160
Energy at 298.15K	-192.361575
HF Energy	-191.589411
Nuclear repulsion energy	121.944622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3005	0.00
2	A₁	1925	1828	0.00
3	A₁	1443	1370	0.00
4	A₁	739	702	0.00
5	B₁	704	668	0.00
6	B₂	3164	3004	0.21
7	B₂	2200	2089	137.08
8	B₂	1506	1430	7.36
9	B₂	1316	1250	4.71
10	E	3255	3091	0.02
10	E	3255	3091	0.02
11	E	1005	954	0.01
11	E	1005	954	0.01
12	E	842	799	53.91
12	E	842	799	53.91
13	E	515	489	0.29
13	E	515	489	0.29
14	E	328	311	0.12
14	E	328	311	0.12
15	E	150	142	4.29
15	E	150	142	4.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.279
C3	0.000	0.000	-1.279
C4	0.000	0.000	2.595
C5	0.000	0.000	-2.595
H6	0.000	0.929	3.150
H7	0.000	-0.929	3.150
H8	0.929	0.000	-3.150
H9	-0.929	0.000	-3.150

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2785	1.2785	2.5952	2.5952	3.2839	3.2839	3.2839	3.2839
C2	1.2785		2.5570	1.3167	3.8737	2.0893	2.0893	4.5247	4.5247
C3	1.2785	2.5570		3.8737	1.3167	4.5247	4.5247	2.0893	2.0893
C4	2.5952	1.3167	3.8737		5.1904	1.0822	1.0822	5.8196	5.8196
C5	2.5952	3.8737	1.3167	5.1904		5.8196	5.8196	1.0822	1.0822
H6	3.2839	2.0893	4.5247	1.0822	5.8196		1.8587	6.4350	6.4350
H7	3.2839	2.0893	4.5247	1.0822	5.8196	1.8587		6.4350	6.4350
H8	3.2839	4.5247	2.0893	5.8196	1.0822	6.4350	6.4350		1.8587
H9	3.2839	4.5247	2.0893	5.8196	1.0822	6.4350	6.4350	1.8587

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	120.822
C2	C4	H7	120.822	C3	C5	H8	120.822
C3	C5	H9	120.822	H6	C4	H7	118.356
H8	C5	H9	118.356

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)