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	hartrees
Energy at 0K	-192.212174
Energy at 298.15K	-192.213095
HF Energy	-191.535503
Nuclear repulsion energy	121.507619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3021	0.00
2	A₁	1937	1820	0.00
3	A₁	1478	1388	0.00
4	A₁	747	702	0.00
5	B₁	708	665	0.00
6	B₂	3216	3020	0.16
7	B₂	2217	2082	134.24
8	B₂	1535	1442	4.56
9	B₂	1333	1252	8.35
10	E	3312	3110	0.23
10	E	3312	3110	0.23
11	E	1025	963	0.06
11	E	1025	963	0.06
12	E	833	783	67.79
12	E	833	783	67.79
13	E	391	367	0.02
13	E	391	367	0.02
14	E	220	207	0.78
14	E	220	207	0.78
15	E	152	143	4.83
15	E	152	143	4.83

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	2.606
C5	0.000	0.000	-2.606
H6	0.000	0.927	3.163
H7	0.000	-0.927	3.163
H8	0.927	0.000	-3.163
H9	-0.927	0.000	-3.163

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2837	1.2837	2.6059	2.6059	3.2965	3.2965	3.2965	3.2965
C2	1.2837		2.5674	1.3222	3.8896	2.0960	2.0960	4.5428	4.5428
C3	1.2837	2.5674		3.8896	1.3222	4.5428	4.5428	2.0960	2.0960
C4	2.6059	1.3222	3.8896		5.2118	1.0819	1.0819	5.8434	5.8434
C5	2.6059	3.8896	1.3222	5.2118		5.8434	5.8434	1.0819	1.0819
H6	3.2965	2.0960	4.5428	1.0819	5.8434		1.8543	6.4613	6.4613
H7	3.2965	2.0960	4.5428	1.0819	5.8434	1.8543		6.4613	6.4613
H8	3.2965	4.5428	2.0960	5.8434	1.0819	6.4613	6.4613		1.8543
H9	3.2965	4.5428	2.0960	5.8434	1.0819	6.4613	6.4613	1.8543

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	121.023
C2	C4	H7	121.023	C3	C5	H8	121.023
C3	C5	H9	121.023	H6	C4	H7	117.955
H8	C5	H9	117.955

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)