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	hartrees
Energy at 0K	-192.823409
Energy at 298.15K	-192.824992
HF Energy	-192.823409
Nuclear repulsion energy	121.772484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3022	0.00
2	A₁	1954	1884	0.00
3	A₁	1441	1390	0.00
4	A₁	757	729	0.00
5	B₁	691	666	0.00
6	B₂	3133	3021	1.75
7	B₂	2229	2149	200.71
8	B₂	1519	1464	21.89
9	B₂	1328	1280	13.76
10	E	3211	3096	0.78
10	E	3211	3096	0.78
11	E	1012	976	0.08
11	E	1012	976	0.08
12	E	855	825	66.32
12	E	855	825	66.32
13	E	588	567	1.21
13	E	588	567	1.21
14	E	350	338	0.10
14	E	350	338	0.10
15	E	159	153	5.29
15	E	159	153	5.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.280
C3	0.000	0.000	-1.280
C4	0.000	0.000	2.596
C5	0.000	0.000	-2.596
H6	0.000	0.929	3.162
H7	0.000	-0.929	3.162
H8	0.929	0.000	-3.162
H9	-0.929	0.000	-3.162

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2804	1.2804	2.5964	2.5964	3.2960	3.2960	3.2960	3.2960
C2	1.2804		2.5608	1.3159	3.8768	2.0988	2.0988	4.5389	4.5389
C3	1.2804	2.5608		3.8768	1.3159	4.5389	4.5389	2.0988	2.0988
C4	2.5964	1.3159	3.8768		5.1927	1.0878	1.0878	5.8332	5.8332
C5	2.5964	3.8768	1.3159	5.1927		5.8332	5.8332	1.0878	1.0878
H6	3.2960	2.0988	4.5389	1.0878	5.8332		1.8578	6.4598	6.4598
H7	3.2960	2.0988	4.5389	1.0878	5.8332	1.8578		6.4598	6.4598
H8	3.2960	4.5389	2.0988	5.8332	1.0878	6.4598	6.4598		1.8578
H9	3.2960	4.5389	2.0988	5.8332	1.0878	6.4598	6.4598	1.8578

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	121.357
C2	C4	H7	121.357	C3	C5	H8	121.357
C3	C5	H9	121.357	H6	C4	H7	117.286
H8	C5	H9	117.286

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B3LYP/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	0.830
2	C	0.007
3	C	0.007
4	C	-0.751
5	C	-0.751
6	H	0.164
7	H	0.164
8	H	0.164
9	H	0.164

<r²>	161.250
(<r²>)^1/2	12.698

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)