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	hartrees
Energy at 0K	-192.411450
Energy at 298.15K	-192.412208
HF Energy	-191.582353
Nuclear repulsion energy	121.574278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1903	1820
2	A₁	732	700
3	B₁	680	650
4	B₂	2157	2062
5	B₂	1312	1254
6	B₂	362	346
7	B₂	362	346
8	B₂	229	219
9	B₂	227	217
10	B₂	131	125
10	B₂	129	123
11	E	3232	3090
11	E	3232	3089
12	E	3147	3009
12	E	3146	3008
13	E	1516	1450
13	E	1466	1401
14	E	1009	964
14	E	1008	964
15	E	771	737
15	E	771	737

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.282
C3	0.000	0.000	-1.282
C4	0.000	0.000	2.603
C5	0.000	0.000	-2.603
H6	0.000	0.929	3.163
H7	0.000	-0.929	3.163
H8	0.929	0.000	-3.163
H9	-0.929	0.000	-3.163

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2819	1.2819	2.6032	2.6032	3.2966	3.2966	3.2966	3.2966
C2	1.2819		2.5638	1.3213	3.8851	2.0979	2.0979	4.5409	4.5409
C3	1.2819	2.5638		3.8851	1.3213	4.5409	4.5409	2.0979	2.0979
C4	2.6032	1.3213	3.8851		5.2065	1.0845	1.0845	5.8406	5.8406
C5	2.6032	3.8851	1.3213	5.2065		5.8406	5.8406	1.0845	1.0845
H6	3.2966	2.0979	4.5409	1.0845	5.8406		1.8577	6.4610	6.4610
H7	3.2966	2.0979	4.5409	1.0845	5.8406	1.8577		6.4610	6.4610
H8	3.2966	4.5409	2.0979	5.8406	1.0845	6.4610	6.4610		1.8577
H9	3.2966	4.5409	2.0979	5.8406	1.0845	6.4610	6.4610	1.8577

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	121.076
C2	C4	H7	121.076	C3	C5	H8	121.076
C3	C5	H9	121.076	H6	C4	H7	117.848
H8	C5	H9	117.848

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)