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	hartrees
Energy at 0K	-192.425209
Energy at 298.15K	-192.426578
HF Energy	-191.601976
Nuclear repulsion energy	122.105600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3003	0.00
2	A₁	1923	1826	0.00
3	A₁	1437	1365	0.00
4	A₁	741	704	0.00
5	B₁	702	666	0.00
6	B₂	3162	3003	0.34
7	B₂	2192	2082	161.12
8	B₂	1502	1427	10.94
9	B₂	1314	1248	6.67
10	E	3256	3092	0.13
10	E	3256	3092	0.13
11	E	1004	953	0.11
11	E	1004	953	0.11
12	E	840	797	50.61
12	E	840	797	50.61
13	E	513	487	0.64
13	E	513	487	0.64
14	E	320	304	0.10
14	E	320	304	0.10
15	E	145	137	4.78
15	E	145	137	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.277
C3	0.000	0.000	-1.277
C4	0.000	0.000	2.592
C5	0.000	0.000	-2.592
H6	0.000	0.929	3.145
H7	0.000	-0.929	3.145
H8	0.929	0.000	-3.145
H9	-0.929	0.000	-3.145

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2767	1.2767	2.5915	2.5915	3.2794	3.2794	3.2794	3.2794
C2	1.2767		2.5535	1.3148	3.8683	2.0866	2.0866	4.5183	4.5183
C3	1.2767	2.5535		3.8683	1.3148	4.5183	4.5183	2.0866	2.0866
C4	2.5915	1.3148	3.8683		5.1831	1.0815	1.0815	5.8113	5.8113
C5	2.5915	3.8683	1.3148	5.1831		5.8113	5.8113	1.0815	1.0815
H6	3.2794	2.0866	4.5183	1.0815	5.8113		1.8583	6.4258	6.4258
H7	3.2794	2.0866	4.5183	1.0815	5.8113	1.8583		6.4258	6.4258
H8	3.2794	4.5183	2.0866	5.8113	1.0815	6.4258	6.4258		1.8583
H9	3.2794	4.5183	2.0866	5.8113	1.0815	6.4258	6.4258	1.8583

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	120.781
C2	C4	H7	120.781	C3	C5	H8	120.781
C3	C5	H9	120.781	H6	C4	H7	118.437
H8	C5	H9	118.437

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/aug-cc-pVQZ

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-pVQZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)