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	hartrees
Energy at 0K	-192.431588
Energy at 298.15K	-192.432877
HF Energy	-191.588341
Nuclear repulsion energy	121.553944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1902	1855
2	A₁	1446	1410
3	A₁	730	711
4	B₁	679	661
5	B₂	2158	2104
6	B₂	1504	1466
7	B₂	1305	1272
8	E	3221	3140
9	E	3220	3139
10	E	3136	3057
10	E	3134	3055
11	E	1009	983
11	E	1007	982
12	E	842	821
12	E	842	821
13	E	486	473
13	E	486	473
14	E	306	298
14	E	305	297
15	E	148	144
15	E	143	139

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	2.604
C5	0.000	0.000	-2.604
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		1.2828	1.2828	2.6041	2.6041	3.2946	3.2946	3.2946	3.2946
C2	1.2828		2.5656	1.3213	3.8869	2.0955	2.0955	4.5396	4.5396
C3	1.2828	2.5656		3.8869	1.3213	4.5396	4.5396	2.0955	2.0955
C4	2.6041	1.3213	3.8869		5.2082	1.0839	1.0839	5.8392	5.8392
C5	2.6041	3.8869	1.3213	5.2082		5.8392	5.8392	1.0839	1.0839
H6	3.2946	2.0955	4.5396	1.0839	5.8392		1.8603	6.4565	6.4565
H7	3.2946	2.0955	4.5396	1.0839	5.8392	1.8603		6.4565	6.4565
H8	3.2946	4.5396	2.0955	5.8392	1.0839	6.4565	6.4565		1.8603
H9	3.2946	4.5396	2.0955	5.8392	1.0839	6.4565	6.4565	1.8603

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	120.887
C2	C4	H7	120.887	C3	C5	H8	120.887
C3	C5	H9	120.887	H6	C4	H7	118.225
H8	C5	H9	118.225

All results from a given calculation for C₅H₄ (pentatetraene)

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

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)