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	hartrees
Energy at 0K	-192.175299
Energy at 298.15K	-192.176590
HF Energy	-191.534862
Nuclear repulsion energy	120.477707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3022	0.00
2	A₁	1928	1837	0.00
3	A₁	1432	1364	0.00
4	A₁	740	705	0.00
5	B₁	693	660	0.00
6	B₂	3172	3022	0.01
7	B₂	2201	2096	97.37
8	B₂	1502	1431	2.79
9	B₂	1313	1250	3.18
10	E	3274	3119	0.10
10	E	3274	3119	0.10
11	E	1003	955	0.06
11	E	1003	955	0.06
12	E	822	783	53.02
12	E	822	783	53.02
13	E	488	465	0.00
13	E	488	465	0.00
14	E	304	290	0.17
14	E	304	290	0.17
15	E	149	142	3.34
15	E	149	142	3.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.295
C3	0.000	0.000	-1.295
C4	0.000	0.000	2.626
C5	0.000	0.000	-2.626
H6	0.000	0.941	3.189
H7	0.000	-0.941	3.189
H8	0.941	0.000	-3.189
H9	-0.941	0.000	-3.189

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2948	1.2948	2.6263	2.6263	3.3245	3.3245	3.3245	3.3245
C2	1.2948		2.5897	1.3315	3.9212	2.1146	2.1146	4.5811	4.5811
C3	1.2948	2.5897		3.9212	1.3315	4.5811	4.5811	2.1146	2.1146
C4	2.6263	1.3315	3.9212		5.2527	1.0959	1.0959	5.8906	5.8906
C5	2.6263	3.9212	1.3315	5.2527		5.8906	5.8906	1.0959	1.0959
H6	3.3245	2.1146	4.5811	1.0959	5.8906		1.8813	6.5147	6.5147
H7	3.3245	2.1146	4.5811	1.0959	5.8906	1.8813		6.5147	6.5147
H8	3.3245	4.5811	2.1146	5.8906	1.0959	6.5147	6.5147		1.8813
H9	3.3245	4.5811	2.1146	5.8906	1.0959	6.5147	6.5147	1.8813

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	120.873
C2	C4	H7	120.873	C3	C5	H8	120.873
C3	C5	H9	120.873	H6	C4	H7	118.254
H8	C5	H9	118.254

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)