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	hartrees
Energy at 0K	-192.274036
Energy at 298.15K
HF Energy	-191.538075
Nuclear repulsion energy	119.919929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1879	1809
2	A₁	724	697
3	B₁	661	637
4	B₂	2135	2055
5	B₂	1291	1243
6	B₂	983	946
7	B₂	978	942
8	B₂	831	799
9	B₂	827	796
10	B₂	294	283
10	B₂	289	278
11	B₂	134	129
11	B₂	114	110
12	B₂	566i	545i
12	B₂	566i	545i
13	E	3223	3102
13	E	3222	3101
14	E	3129	3011
14	E	3128	3010
15	E	1487	1431
15	E	1433	1379

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.301
C3	0.000	0.000	-1.301
C4	0.000	0.000	2.640
C5	0.000	0.000	-2.640
H6	0.000	0.941	3.203
H7	0.000	-0.941	3.203
H8	0.941	0.000	-3.203
H9	-0.941	0.000	-3.203

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.3006	1.3006	2.6405	2.6405	3.3385	3.3385	3.3385	3.3385
C2	1.3006		2.6012	1.3399	3.9411	2.1226	2.1226	4.6010	4.6010
C3	1.3006	2.6012		3.9411	1.3399	4.6010	4.6010	2.1226	2.1226
C4	2.6405	1.3399	3.9411		5.2810	1.0967	1.0967	5.9189	5.9189
C5	2.6405	3.9411	1.3399	5.2810		5.9189	5.9189	1.0967	1.0967
H6	3.3385	2.1226	4.6010	1.0967	5.9189		1.8827	6.5430	6.5430
H7	3.3385	2.1226	4.6010	1.0967	5.9189	1.8827		6.5430	6.5430
H8	3.3385	4.6010	2.1226	5.9189	1.0967	6.5430	6.5430		1.8827
H9	3.3385	4.6010	2.1226	5.9189	1.0967	6.5430	6.5430	1.8827

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	120.863
C2	C4	H7	120.863	C3	C5	H8	120.863
C3	C5	H9	120.863	H6	C4	H7	118.274
H8	C5	H9	118.274

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)