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	hartrees
Energy at 0K	-192.286276
Energy at 298.15K	-192.287205
HF Energy	-191.583358
Nuclear repulsion energy	121.918599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3028	0.00
2	A₁	1945	1858	0.00
3	A₁	1478	1412	0.00
4	A₁	746	712	0.00
5	B₁	697	666	0.00
6	B₂	3169	3028	4.05
7	B₂	2223	2124	115.42
8	B₂	1538	1469	4.67
9	B₂	1332	1273	8.90
10	E	3254	3108	1.51
10	E	3254	3108	1.51
11	E	1022	977	0.05
11	E	1022	977	0.05
12	E	811	775	53.76
12	E	811	775	53.76
13	E	385	368	0.00
13	E	385	368	0.00
14	E	252	240	0.79
14	E	252	240	0.79
15	E	132	126	3.83
15	E	132	126	3.83

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	0.928	3.154
H7	0.000	-0.928	3.154
H8	0.928	0.000	-3.154
H9	-0.928	0.000	-3.154

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2792	1.2792	2.5949	2.5949	3.2876	3.2876	3.2876	3.2876
C2	1.2792		2.5584	1.3157	3.8741	2.0919	2.0919	4.5292	4.5292
C3	1.2792	2.5584		3.8741	1.3157	4.5292	4.5292	2.0919	2.0919
C4	2.5949	1.3157	3.8741		5.1898	1.0834	1.0834	5.8233	5.8233
C5	2.5949	3.8741	1.3157	5.1898		5.8233	5.8233	1.0834	1.0834
H6	3.2876	2.0919	4.5292	1.0834	5.8233		1.8561	6.4430	6.4430
H7	3.2876	2.0919	4.5292	1.0834	5.8233	1.8561		6.4430	6.4430
H8	3.2876	4.5292	2.0919	5.8233	1.0834	6.4430	6.4430		1.8561
H9	3.2876	4.5292	2.0919	5.8233	1.0834	6.4430	6.4430	1.8561

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	121.064
C2	C4	H7	121.064	C3	C5	H8	121.064
C3	C5	H9	121.064	H6	C4	H7	117.873
H8	C5	H9	117.873

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)