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	hartrees
Energy at 0K	-192.215223
Energy at 298.15K	-192.216468
HF Energy	-191.534594
Nuclear repulsion energy	120.392723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3033	0.00
2	A₁	1940	1861	0.00
3	A₁	1448	1389	0.00
4	A₁	742	711	0.00
5	B₁	679	651	0.00
6	B₂	3161	3033	2.56
7	B₂	2213	2123	86.37
8	B₂	1520	1458	2.38
9	B₂	1317	1264	5.34
10	E	3256	3124	1.22
10	E	3256	3124	1.22
11	E	1018	977	0.03
11	E	1018	977	0.03
12	E	849	814	46.71
12	E	849	814	46.71
13	E	471	452	0.03
13	E	471	452	0.03
14	E	292	280	0.22
14	E	292	280	0.22
15	E	148	142	3.33
15	E	148	142	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.297
C3	0.000	0.000	-1.297
C4	0.000	0.000	2.628
C5	0.000	0.000	-2.628
H6	0.000	0.941	3.192
H7	0.000	-0.941	3.192
H8	0.941	0.000	-3.192
H9	-0.941	0.000	-3.192

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2967	1.2967	2.6279	2.6279	3.3276	3.3276	3.3276	3.3276
C2	1.2967		2.5935	1.3311	3.9246	2.1157	2.1157	4.5861	4.5861
C3	1.2967	2.5935		3.9246	1.3311	4.5861	4.5861	2.1157	2.1157
C4	2.6279	1.3311	3.9246		5.2557	1.0967	1.0967	5.8952	5.8952
C5	2.6279	3.9246	1.3311	5.2557		5.8952	5.8952	1.0967	1.0967
H6	3.3276	2.1157	4.5861	1.0967	5.8952		1.8812	6.5208	6.5208
H7	3.3276	2.1157	4.5861	1.0967	5.8952	1.8812		6.5208	6.5208
H8	3.3276	4.5861	2.1157	5.8952	1.0967	6.5208	6.5208		1.8812
H9	3.3276	4.5861	2.1157	5.8952	1.0967	6.5208	6.5208	1.8812

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	120.948
C2	C4	H7	120.948	C3	C5	H8	120.948
C3	C5	H9	120.948	H6	C4	H7	118.105
H8	C5	H9	118.105

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)