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	hartrees
Energy at 0K	-192.788857
Energy at 298.15K	-192.790188
HF Energy	-192.788857
Nuclear repulsion energy	121.497028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3034	3022	0.00
2	A₁	1892	1884	0.00
3	A₁	1397	1391	0.00
4	A₁	732	729	0.00
5	B₁	677	675	0.00
6	B₂	3033	3021	7.19
7	B₂	2153	2145	141.26
8	B₂	1464	1458	17.37
9	B₂	1289	1284	9.85
10	E	3100	3088	2.65
10	E	3100	3088	2.65
11	E	979	975	0.19
11	E	979	975	0.19
12	E	803	800	53.09
12	E	803	800	53.09
13	E	519	517	0.56
13	E	519	517	0.56
14	E	317	316	0.17
14	E	317	316	0.17
15	E	148	148	3.65
15	E	148	148	3.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.282
C3	0.000	0.000	-1.282
C4	0.000	0.000	2.601
C5	0.000	0.000	-2.601
H6	0.000	0.932	3.173
H7	0.000	-0.932	3.173
H8	0.932	0.000	-3.173
H9	-0.932	0.000	-3.173

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2816	1.2816	2.6013	2.6013	3.3067	3.3067	3.3067	3.3067
C2	1.2816		2.5632	1.3197	3.8829	2.1081	2.1081	4.5507	4.5507
C3	1.2816	2.5632		3.8829	1.3197	4.5507	4.5507	2.1081	2.1081
C4	2.6013	1.3197	3.8829		5.2026	1.0929	1.0929	5.8487	5.8487
C5	2.6013	3.8829	1.3197	5.2026		5.8487	5.8487	1.0929	1.0929
H6	3.3067	2.1081	4.5507	1.0929	5.8487		1.8631	6.4808	6.4808
H7	3.3067	2.1081	4.5507	1.0929	5.8487	1.8631		6.4808	6.4808
H8	3.3067	4.5507	2.1081	5.8487	1.0929	6.4808	6.4808		1.8631
H9	3.3067	4.5507	2.1081	5.8487	1.0929	6.4808	6.4808	1.8631

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	121.529
C2	C4	H7	121.529	C3	C5	H8	121.529
C3	C5	H9	121.529	H6	C4	H7	116.942
H8	C5	H9	116.942

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: BLYP/6-311G**

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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Number	Element	Mulliken
1	C	0.105
2	C	-0.090
3	C	-0.090
4	C	-0.224
5	C	-0.224
6	H	0.130
7	H	0.130
8	H	0.130
9	H	0.130

<r²>	161.700
(<r²>)^1/2	12.716

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)