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	hartrees
Energy at 0K	-192.181610
Energy at 298.15K	-192.182844
HF Energy	-191.519364
Nuclear repulsion energy	121.298952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3017	0.00
2	A₁	1957	1864	0.00
3	A₁	1479	1408	0.00
4	A₁	751	715	0.00
5	B₁	693	660	0.00
6	B₂	3168	3016	5.65
7	B₂	2233	2126	74.87
8	B₂	1543	1469	1.39
9	B₂	1341	1277	5.09
10	E	3247	3092	3.37
10	E	3247	3092	3.37
11	E	1039	989	0.03
11	E	1039	989	0.03
12	E	867	825	53.82
12	E	867	825	53.82
13	E	433	413	0.01
13	E	433	413	0.01
14	E	308	293	0.21
14	E	308	293	0.21
15	E	154	147	2.97
15	E	154	147	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286
C4	0.000	0.000	2.608
C5	0.000	0.000	-2.608
H6	0.000	0.929	3.175
H7	0.000	-0.929	3.175
H8	0.929	0.000	-3.175
H9	-0.929	0.000	-3.175

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2863	1.2863	2.6076	2.6076	3.3083	3.3083	3.3083	3.3083
C2	1.2863		2.5725	1.3213	3.8939	2.1050	2.1050	4.5571	4.5571
C3	1.2863	2.5725		3.8939	1.3213	4.5571	4.5571	2.1050	2.1050
C4	2.6076	1.3213	3.8939		5.2152	1.0888	1.0888	5.8569	5.8569
C5	2.6076	3.8939	1.3213	5.2152		5.8569	5.8569	1.0888	1.0888
H6	3.3083	2.1050	4.5571	1.0888	5.8569		1.8583	6.4848	6.4848
H7	3.3083	2.1050	4.5571	1.0888	5.8569	1.8583		6.4848	6.4848
H8	3.3083	4.5571	2.1050	5.8569	1.0888	6.4848	6.4848		1.8583
H9	3.3083	4.5571	2.1050	5.8569	1.0888	6.4848	6.4848	1.8583

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	121.416
C2	C4	H7	121.416	C3	C5	H8	121.416
C3	C5	H9	121.416	H6	C4	H7	117.168
H8	C5	H9	117.168

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)