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	hartrees
Energy at 0K	-192.201897
Energy at 298.15K
HF Energy	-191.539960
Nuclear repulsion energy	120.390145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3031	0.00
2	A₁	1907	1829	0.00
3	A₁	1428	1370	0.00
4	A₁	734	704	0.00
5	B₁	688	660	0.00
6	B₂	3161	3031	0.05
7	B₂	2185	2095	137.99
8	B₂	1490	1429	7.26
9	B₂	1306	1252	6.88
10	E	3261	3127	0.02
10	E	3261	3127	0.02
11	E	973	933	0.14
11	E	973	933	0.14
12	E	835	801	50.12
12	E	835	801	50.12
13	E	321	308	0.06
13	E	321	308	0.06
14	E	138	133	5.32
14	E	138	133	5.32
15	E	556i	534i	0.20
15	E	556i	534i	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.295
C3	0.000	0.000	-1.295
C4	0.000	0.000	2.630
C5	0.000	0.000	-2.630
H6	0.000	0.940	3.190
H7	0.000	-0.940	3.190
H8	0.940	0.000	-3.190
H9	-0.940	0.000	-3.190

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2953	1.2953	2.6295	2.6295	3.3253	3.3253	3.3253	3.3253
C2	1.2953		2.5907	1.3342	3.9249	2.1147	2.1147	4.5825	4.5825
C3	1.2953	2.5907		3.9249	1.3342	4.5825	4.5825	2.1147	2.1147
C4	2.6295	1.3342	3.9249		5.2591	1.0941	1.0941	5.8946	5.8946
C5	2.6295	3.9249	1.3342	5.2591		5.8946	5.8946	1.0941	1.0941
H6	3.3253	2.1147	4.5825	1.0941	5.8946		1.8797	6.5164	6.5164
H7	3.3253	2.1147	4.5825	1.0941	5.8946	1.8797		6.5164	6.5164
H8	3.3253	4.5825	2.1147	5.8946	1.0941	6.5164	6.5164		1.8797
H9	3.3253	4.5825	2.1147	5.8946	1.0941	6.5164	6.5164	1.8797

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	120.795
C2	C4	H7	120.795	C3	C5	H8	120.795
C3	C5	H9	120.795	H6	C4	H7	118.410
H8	C5	H9	118.410

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)