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	hartrees
Energy at 0K	-191.529500
Energy at 298.15K	-191.531290
HF Energy	-191.529500
Nuclear repulsion energy	123.055407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3307	2985	0.00
2	A₁	2108	1903	0.00
3	A₁	1567	1414	0.00
4	A₁	807	728	0.00
5	B₁	749	676	0.00
6	B₂	3306	2984	5.76
7	B₂	2419	2184	276.03
8	B₂	1658	1496	4.40
9	B₂	1425	1286	17.85
10	E	3391	3060	2.64
10	E	3391	3060	2.64
11	E	1111	1003	0.03
11	E	1111	1003	0.03
12	E	1000	903	59.59
12	E	1000	903	59.59
13	E	573	518	0.03
13	E	573	518	0.03
14	E	377	341	0.10
14	E	377	341	0.10
15	E	166	150	3.57
15	E	166	150	3.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.270
C3	0.000	0.000	-1.270
C4	0.000	0.000	2.569
C5	0.000	0.000	-2.569
H6	0.000	0.922	3.124
H7	0.000	-0.922	3.124
H8	0.922	0.000	-3.124
H9	-0.922	0.000	-3.124

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2698	1.2698	2.5694	2.5694	3.2571	3.2571	3.2571	3.2571
C2	1.2698		2.5396	1.2997	3.8392	2.0707	2.0707	4.4893	4.4893
C3	1.2698	2.5396		3.8392	1.2997	4.4893	4.4893	2.0707	2.0707
C4	2.5694	1.2997	3.8392		5.1389	1.0759	1.0759	5.7675	5.7675
C5	2.5694	3.8392	1.2997	5.1389		5.7675	5.7675	1.0759	1.0759
H6	3.2571	2.0707	4.4893	1.0759	5.7675		1.8442	6.3823	6.3823
H7	3.2571	2.0707	4.4893	1.0759	5.7675	1.8442		6.3823	6.3823
H8	3.2571	4.4893	2.0707	5.7675	1.0759	6.3823	6.3823		1.8442
H9	3.2571	4.4893	2.0707	5.7675	1.0759	6.3823	6.3823	1.8442

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	121.015
C2	C4	H7	121.015	C3	C5	H8	121.015
C3	C5	H9	121.015	H6	C4	H7	117.970
H8	C5	H9	117.970

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.344
2	C	-0.112
3	C	-0.112
4	C	-0.385
5	C	-0.385
6	H	0.162
7	H	0.162
8	H	0.162
9	H	0.162

<r²>	157.788
(<r²>)^1/2	12.561

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)