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	hartrees
Energy at 0K	-192.243911
Energy at 298.15K	-192.245576
HF Energy	-191.587967
Nuclear repulsion energy	123.106301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	2993	0.00
2	A₁	2032	1873	0.00
3	A₁	1503	1386	0.00
4	A₁	777	717	0.00
5	B₁	727	671	0.00
6	B₂	3246	2992	0.00
7	B₂	2333	2151	258.21
8	B₂	1586	1462	14.63
9	B₂	1374	1267	12.23
10	E	3334	3073	0.02
10	E	3334	3073	0.02
11	E	1059	976	0.36
11	E	1059	976	0.36
12	E	936	863	53.50
12	E	936	863	53.50
13	E	569	524	0.68
13	E	569	524	0.68
14	E	357	329	0.03
14	E	357	329	0.03
15	E	155	143	5.35
15	E	155	143	5.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.268
C3	0.000	0.000	-1.268
C4	0.000	0.000	2.569
C5	0.000	0.000	-2.569
H6	0.000	0.923	3.121
H7	0.000	-0.923	3.121
H8	0.923	0.000	-3.121
H9	-0.923	0.000	-3.121

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2681	1.2681	2.5688	2.5688	3.2548	3.2548	3.2548	3.2548
C2	1.2681		2.5361	1.3007	3.8369	2.0702	2.0702	4.4853	4.4853
C3	1.2681	2.5361		3.8369	1.3007	4.4853	4.4853	2.0702	2.0702
C4	2.5688	1.3007	3.8369		5.1376	1.0754	1.0754	5.7644	5.7644
C5	2.5688	3.8369	1.3007	5.1376		5.7644	5.7644	1.0754	1.0754
H6	3.2548	2.0702	4.4853	1.0754	5.7644		1.8453	6.3775	6.3775
H7	3.2548	2.0702	4.4853	1.0754	5.7644	1.8453		6.3775	6.3775
H8	3.2548	4.4853	2.0702	5.7644	1.0754	6.3775	6.3775		1.8453
H9	3.2548	4.4853	2.0702	5.7644	1.0754	6.3775	6.3775	1.8453

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	120.914
C2	C4	H7	120.914	C3	C5	H8	120.914
C3	C5	H9	120.914	H6	C4	H7	118.172
H8	C5	H9	118.172

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)