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	hartrees
Energy at 0K	-192.323515
Energy at 298.15K	-192.324194
HF Energy	-191.581956
Nuclear repulsion energy	121.452333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1897	1826
2	A₁	729	702
3	B₁	692	666
4	B₂	2162	2082
5	B₂	1308	1259
6	B₂	354	341
7	B₂	354	341
8	B₂	216	208
9	B₂	214	206
10	B₂	126	122
10	B₂	124	120
11	E	3234	3114
11	E	3234	3114
12	E	3148	3031
12	E	3147	3031
13	E	1508	1452
13	E	1459	1405
14	E	1001	964
14	E	1000	963
15	E	754	726
15	E	754	726

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	2.606
C5	0.000	0.000	-2.606
H6	0.000	0.930	3.166
H7	0.000	-0.930	3.166
H8	0.930	0.000	-3.166
H9	-0.930	0.000	-3.166

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2830	1.2830	2.6059	2.6059	3.2998	3.2998	3.2998	3.2998
C2	1.2830		2.5660	1.3229	3.8890	2.1001	2.1001	4.5452	4.5452
C3	1.2830	2.5660		3.8890	1.3229	4.5452	4.5452	2.1001	2.1001
C4	2.6059	1.3229	3.8890		5.2119	1.0854	1.0854	5.8465	5.8465
C5	2.6059	3.8890	1.3229	5.2119		5.8465	5.8465	1.0854	1.0854
H6	3.2998	2.1001	4.5452	1.0854	5.8465		1.8593	6.4673	6.4673
H7	3.2998	2.1001	4.5452	1.0854	5.8465	1.8593		6.4673	6.4673
H8	3.2998	4.5452	2.1001	5.8465	1.0854	6.4673	6.4673		1.8593
H9	3.2998	4.5452	2.1001	5.8465	1.0854	6.4673	6.4673	1.8593

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	121.072
C2	C4	H7	121.072	C3	C5	H8	121.072
C3	C5	H9	121.072	H6	C4	H7	117.856
H8	C5	H9	117.856

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4/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: MP4/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)