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	hartrees
Energy at 0K	-192.738082
Energy at 298.15K	-192.739615
HF Energy	-192.738082
Nuclear repulsion energy	121.838187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3022	0.00
2	A₁	1965	1887	0.00
3	A₁	1431	1374	0.00
4	A₁	760	729	0.00
5	B₁	692	664	0.00
6	B₂	3146	3020	0.83
7	B₂	2244	2154	207.15
8	B₂	1518	1458	25.68
9	B₂	1327	1274	10.51
10	E	3228	3100	0.28
10	E	3228	3100	0.28
11	E	1004	964	0.22
11	E	1004	964	0.22
12	E	853	818	70.22
12	E	853	818	70.22
13	E	568	545	1.08
13	E	568	545	1.08
14	E	344	330	0.16
14	E	344	330	0.16
15	E	157	150	5.28
15	E	157	150	5.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.280
C3	0.000	0.000	-1.280
C4	0.000	0.000	2.595
C5	0.000	0.000	-2.595
H6	0.000	0.930	3.159
H7	0.000	-0.930	3.159
H8	0.930	0.000	-3.159
H9	-0.930	0.000	-3.159

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2801	1.2801	2.5947	2.5947	3.2934	3.2934	3.2934	3.2934
C2	1.2801		2.5602	1.3146	3.8748	2.0968	2.0968	4.5358	4.5358
C3	1.2801	2.5602		3.8748	1.3146	4.5358	4.5358	2.0968	2.0968
C4	2.5947	1.3146	3.8748		5.1895	1.0879	1.0879	5.8288	5.8288
C5	2.5947	3.8748	1.3146	5.1895		5.8288	5.8288	1.0879	1.0879
H6	3.2934	2.0968	4.5358	1.0879	5.8288		1.8598	6.4542	6.4542
H7	3.2934	2.0968	4.5358	1.0879	5.8288	1.8598		6.4542	6.4542
H8	3.2934	4.5358	2.0968	5.8288	1.0879	6.4542	6.4542		1.8598
H9	3.2934	4.5358	2.0968	5.8288	1.0879	6.4542	6.4542	1.8598

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	121.268
C2	C4	H7	121.268	C3	C5	H8	121.268
C3	C5	H9	121.268	H6	C4	H7	117.465
H8	C5	H9	117.465

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B3PW91/6-31+G**

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	0.719
2	C	-0.005
3	C	-0.005
4	C	-0.718
5	C	-0.718
6	H	0.182
7	H	0.182
8	H	0.182
9	H	0.182

<r²>	160.768
(<r²>)^1/2	12.679

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)