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	hartrees
Energy at 0K	-190.939604
Energy at 298.15K
HF Energy	-190.455633
Nuclear repulsion energy	120.896986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	3013	0.00
2	A₁	1894	1836	0.00
3	A₁	1514	1468	0.00
4	A₁	727	705	0.00
5	B₁	695	673	0.00
6	B₂	3108	3012	4.92
7	B₂	2176	2109	30.15
8	B₂	1545	1497	0.44
9	B₂	1315	1274	3.31
10	E	3179	3081	4.81
10	E	3179	3081	4.81
11	E	1084	1051	0.50
11	E	1084	1051	0.50
12	E	904	876	56.62
12	E	904	876	56.62
13	E	279	270	0.22
13	E	279	270	0.22
14	E	131	127	3.72
14	E	131	127	3.72
15	E	338i	328i	0.09
15	E	338i	328i	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.288
C3	0.000	0.000	-1.288
C4	0.000	0.000	2.617
C5	0.000	0.000	-2.617
H6	0.000	0.928	3.191
H7	0.000	-0.928	3.191
H8	0.928	0.000	-3.191
H9	-0.928	0.000	-3.191

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2881	1.2881	2.6170	2.6170	3.3228	3.3228	3.3228	3.3228
C2	1.2881		2.5761	1.3290	3.9051	2.1167	2.1167	4.5739	4.5739
C3	1.2881	2.5761		3.9051	1.3290	4.5739	4.5739	2.1167	2.1167
C4	2.6170	1.3290	3.9051		5.2341	1.0907	1.0907	5.8814	5.8814
C5	2.6170	3.9051	1.3290	5.2341		5.8814	5.8814	1.0907	1.0907
H6	3.3228	2.1167	4.5739	1.0907	5.8814		1.8552	6.5149	6.5149
H7	3.3228	2.1167	4.5739	1.0907	5.8814	1.8552		6.5149	6.5149
H8	3.3228	4.5739	2.1167	5.8814	1.0907	6.5149	6.5149		1.8552
H9	3.3228	4.5739	2.1167	5.8814	1.0907	6.5149	6.5149	1.8552

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	121.735
C2	C4	H7	121.735	C3	C5	H8	121.735
C3	C5	H9	121.735	H6	C4	H7	116.529
H8	C5	H9	116.529

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)