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	hartrees
Energy at 0K	-192.432584
Energy at 298.15K	-192.433871
HF Energy	-191.588265
Nuclear repulsion energy	121.529626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1901	1803
2	A₁	1446	1371
3	A₁	729	692
4	B₁	679	644
5	B₂	2157	2046
6	B₂	1503	1426
7	B₂	1304	1237
8	E	3220	3054
9	E	3219	3054
10	E	3135	2973
10	E	3133	2972
11	E	1008	956
11	E	1007	955
12	E	841	798
12	E	841	798
13	E	486	461
13	E	486	461
14	E	306	290
14	E	304	289
15	E	148	141
15	E	142	135

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.283
C3	0.000	0.000	-1.283
C4	0.000	0.000	2.605
C5	0.000	0.000	-2.605
H6	0.000	0.930	3.161
H7	0.000	-0.930	3.161
H8	0.930	0.000	-3.161
H9	-0.930	0.000	-3.161

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2830	1.2830	2.6047	2.6047	3.2952	3.2952	3.2952	3.2952
C2	1.2830		2.5660	1.3217	3.8877	2.0959	2.0959	4.5405	4.5405
C3	1.2830	2.5660		3.8877	1.3217	4.5405	4.5405	2.0959	2.0959
C4	2.6047	1.3217	3.8877		5.2094	1.0840	1.0840	5.8405	5.8405
C5	2.6047	3.8877	1.3217	5.2094		5.8405	5.8405	1.0840	1.0840
H6	3.2952	2.0959	4.5405	1.0840	5.8405		1.8604	6.4579	6.4579
H7	3.2952	2.0959	4.5405	1.0840	5.8405	1.8604		6.4579	6.4579
H8	3.2952	4.5405	2.0959	5.8405	1.0840	6.4579	6.4579		1.8604
H9	3.2952	4.5405	2.0959	5.8405	1.0840	6.4579	6.4579	1.8604

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	120.892
C2	C4	H7	120.892	C3	C5	H8	120.892
C3	C5	H9	120.892	H6	C4	H7	118.216
H8	C5	H9	118.216

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)