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	hartrees
Energy at 0K	-192.719371
Energy at 298.15K	-192.721005
HF Energy	-192.719371
Nuclear repulsion energy	121.943609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3011	0.00
2	A₁	1991	1896	0.00
3	A₁	1438	1370	0.00
4	A₁	768	731	0.00
5	B₁	699	666	0.00
6	B₂	3161	3010	1.55
7	B₂	2293	2183	241.90
8	B₂	1535	1462	22.81
9	B₂	1334	1270	9.43
10	E	3247	3092	0.00
10	E	3247	3092	0.00
11	E	1012	963	0.05
11	E	1012	963	0.05
12	E	892	849	68.89
12	E	892	849	68.89
13	E	596	568	1.15
13	E	596	568	1.15
14	E	359	342	0.10
14	E	359	342	0.10
15	E	157	150	5.53
15	E	157	150	5.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.281
C3	0.000	0.000	-1.281
C4	0.000	0.000	2.593
C5	0.000	0.000	-2.593
H6	0.000	0.931	3.152
H7	0.000	-0.931	3.152
H8	0.931	0.000	-3.152
H9	-0.931	0.000	-3.152

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2807	1.2807	2.5929	2.5929	3.2868	3.2868	3.2868	3.2868
C2	1.2807		2.5614	1.3122	3.8736	2.0903	2.0903	4.5296	4.5296
C3	1.2807	2.5614		3.8736	1.3122	4.5296	4.5296	2.0903	2.0903
C4	2.5929	1.3122	3.8736		5.1858	1.0861	1.0861	5.8200	5.8200
C5	2.5929	3.8736	1.3122	5.1858		5.8200	5.8200	1.0861	1.0861
H6	3.2868	2.0903	4.5296	1.0861	5.8200		1.8621	6.4404	6.4404
H7	3.2868	2.0903	4.5296	1.0861	5.8200	1.8621		6.4404	6.4404
H8	3.2868	4.5296	2.0903	5.8200	1.0861	6.4404	6.4404		1.8621
H9	3.2868	4.5296	2.0903	5.8200	1.0861	6.4404	6.4404	1.8621

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	120.995
C2	C4	H7	120.995	C3	C5	H8	120.995
C3	C5	H9	120.995	H6	C4	H7	118.009
H8	C5	H9	118.009

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.764
2	C	-0.228
3	C	-0.228
4	C	-0.519
5	C	-0.519
6	H	0.182
7	H	0.182
8	H	0.182
9	H	0.182

<r²>	160.607
(<r²>)^1/2	12.673

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)