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	hartrees
Energy at 0K	-192.279595
Energy at 298.15K	-192.280516
HF Energy	-191.555370
Nuclear repulsion energy	120.925529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1891	1821
2	A₁	723	696
3	B₁	674	649
4	B₂	2143	2063
5	B₂	1298	1249
6	B₂	381	367
7	B₂	381	367
8	B₂	253	244
9	B₂	252	242
10	B₂	147	142
10	B₂	144	139
11	E	3198	3079
11	E	3198	3079
12	E	3114	2999
12	E	3114	2998
13	E	1499	1443
13	E	1445	1392
14	E	1006	969
14	E	1006	969
15	E	812	782
15	E	812	782

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.289
C3	0.000	0.000	-1.289
C4	0.000	0.000	2.617
C5	0.000	0.000	-2.617
H6	0.000	0.932	3.182
H7	0.000	-0.932	3.182
H8	0.932	0.000	-3.182
H9	-0.932	0.000	-3.182

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2887	1.2887	2.6171	2.6171	3.3157	3.3157	3.3157	3.3157
C2	1.2887		2.5774	1.3284	3.9058	2.1104	2.1104	4.5668	4.5668
C3	1.2887	2.5774		3.9058	1.3284	4.5668	4.5668	2.1104	2.1104
C4	2.6171	1.3284	3.9058		5.2341	1.0902	1.0902	5.8734	5.8734
C5	2.6171	3.9058	1.3284	5.2341		5.8734	5.8734	1.0902	1.0902
H6	3.3157	2.1104	4.5668	1.0902	5.8734		1.8649	6.4989	6.4989
H7	3.3157	2.1104	4.5668	1.0902	5.8734	1.8649		6.4989	6.4989
H8	3.3157	4.5668	2.1104	5.8734	1.0902	6.4989	6.4989		1.8649
H9	3.3157	4.5668	2.1104	5.8734	1.0902	6.4989	6.4989	1.8649

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	121.204
C2	C4	H7	121.204	C3	C5	H8	121.204
C3	C5	H9	121.204	H6	C4	H7	117.593
H8	C5	H9	117.593

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD(T)/6-311G*

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)/6-311G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)