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	hartrees
Energy at 0K	-192.391036
Energy at 298.15K	-192.392439
HF Energy	-191.595623
Nuclear repulsion energy	121.980115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3162	0.00
2	A₁	1947	1947	0.00
3	A₁	1466	1466	0.00
4	A₁	747	747	0.00
5	B₁	695	695	0.00
6	B₂	3161	3161	0.92
7	B₂	2224	2224	142.39
8	B₂	1533	1533	8.30
9	B₂	1329	1329	8.36
10	E	3247	3247	0.30
10	E	3247	3247	0.30
11	E	1029	1029	0.23
11	E	1029	1029	0.23
12	E	873	873	50.30
12	E	873	873	50.30
13	E	512	512	0.55
13	E	512	512	0.55
14	E	320	320	0.15
14	E	320	320	0.15
15	E	148	148	4.58
15	E	148	148	4.58

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	2.594
C5	0.000	0.000	-2.594
H6	0.000	0.928	3.150
H7	0.000	-0.928	3.150
H8	0.928	0.000	-3.150
H9	-0.928	0.000	-3.150

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2794	1.2794	2.5941	2.5941	3.2837	3.2837	3.2837	3.2837
C2	1.2794		2.5587	1.3147	3.8734	2.0881	2.0881	4.5254	4.5254
C3	1.2794	2.5587		3.8734	1.3147	4.5254	4.5254	2.0881	2.0881
C4	2.5941	1.3147	3.8734		5.1882	1.0818	1.0818	5.8184	5.8184
C5	2.5941	3.8734	1.3147	5.1882		5.8184	5.8184	1.0818	1.0818
H6	3.2837	2.0881	4.5254	1.0818	5.8184		1.8564	6.4349	6.4349
H7	3.2837	2.0881	4.5254	1.0818	5.8184	1.8564		6.4349	6.4349
H8	3.2837	4.5254	2.0881	5.8184	1.0818	6.4349	6.4349		1.8564
H9	3.2837	4.5254	2.0881	5.8184	1.0818	6.4349	6.4349	1.8564

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	120.908
C2	C4	H7	120.908	C3	C5	H8	120.908
C3	C5	H9	120.908	H6	C4	H7	118.183
H8	C5	H9	118.183

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)