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	hartrees
Energy at 0K	-192.117821
Energy at 298.15K
HF Energy	-191.543983
Nuclear repulsion energy	121.597850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3242	0.00
2	A₁	2017	2017	0.00
3	A₁	1487	1487	0.00
4	A₁	773	773	0.00
5	B₁	713	713	0.00
6	B₂	3240	3240	0.31
7	B₂	2321	2321	230.80
8	B₂	1570	1570	12.09
9	B₂	1364	1364	12.27
10	E	3337	3337	0.27
10	E	3337	3337	0.27
11	E	1026	1026	0.64
11	E	1026	1026	0.64
12	E	936	936	50.96
12	E	936	936	50.96
13	E	370	370	0.19
13	E	370	370	0.19
14	E	161	161	5.63
14	E	161	161	5.63
15	E	382i	382i	0.02
15	E	382i	382i	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.284
C3	0.000	0.000	-1.284
C4	0.000	0.000	2.602
C5	0.000	0.000	-2.602
H6	0.000	0.932	3.159
H7	0.000	-0.932	3.159
H8	0.932	0.000	-3.159
H9	-0.932	0.000	-3.159

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2843	1.2843	2.6016	2.6016	3.2940	3.2940	3.2940	3.2940
C2	1.2843		2.5687	1.3173	3.8860	2.0939	2.0939	4.5404	4.5404
C3	1.2843	2.5687		3.8860	1.3173	4.5404	4.5404	2.0939	2.0939
C4	2.6016	1.3173	3.8860		5.2033	1.0863	1.0863	5.8359	5.8359
C5	2.6016	3.8860	1.3173	5.2033		5.8359	5.8359	1.0863	1.0863
H6	3.2940	2.0939	4.5404	1.0863	5.8359		1.8644	6.4547	6.4547
H7	3.2940	2.0939	4.5404	1.0863	5.8359	1.8644		6.4547	6.4547
H8	3.2940	4.5404	2.0939	5.8359	1.0863	6.4547	6.4547		1.8644
H9	3.2940	4.5404	2.0939	5.8359	1.0863	6.4547	6.4547	1.8644

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	120.889
C2	C4	H7	120.889	C3	C5	H8	120.889
C3	C5	H9	120.889	H6	C4	H7	118.222
H8	C5	H9	118.222

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CISD/daug-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: CISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)