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	hartrees
Energy at 0K	-191.588076
Energy at 298.15K	-191.589936
HF Energy	-191.588076
Nuclear repulsion energy	123.469657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	2978	0.00
2	A₁	2077	1887	0.00
3	A₁	1555	1413	0.00
4	A₁	796	723	0.00
5	B₁	747	678	0.00
6	B₂	3276	2977	1.58
7	B₂	2384	2166	381.17
8	B₂	1637	1488	14.98
9	B₂	1410	1281	23.60
10	E	3358	3051	0.42
10	E	3358	3051	0.42
11	E	1104	1003	0.64
11	E	1104	1003	0.64
12	E	1001	910	59.24
12	E	1001	910	59.24
13	E	614	558	0.83
13	E	614	558	0.83
14	E	385	350	0.00
14	E	385	350	0.00
15	E	163	148	6.27
15	E	163	148	6.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.264
C3	0.000	0.000	-1.264
C4	0.000	0.000	2.560
C5	0.000	0.000	-2.560
H6	0.000	0.921	3.113
H7	0.000	-0.921	3.113
H8	0.921	0.000	-3.113
H9	-0.921	0.000	-3.113

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2645	1.2645	2.5604	2.5604	3.2462	3.2462	3.2462	3.2462
C2	1.2645		2.5289	1.2959	3.8249	2.0651	2.0651	4.4731	4.4731
C3	1.2645	2.5289		3.8249	1.2959	4.4731	4.4731	2.0651	2.0651
C4	2.5604	1.2959	3.8249		5.1208	1.0741	1.0741	5.7474	5.7474
C5	2.5604	3.8249	1.2959	5.1208		5.7474	5.7474	1.0741	1.0741
H6	3.2462	2.0651	4.4731	1.0741	5.7474		1.8424	6.3603	6.3603
H7	3.2462	2.0651	4.4731	1.0741	5.7474	1.8424		6.3603	6.3603
H8	3.2462	4.4731	2.0651	5.7474	1.0741	6.3603	6.3603		1.8424
H9	3.2462	4.4731	2.0651	5.7474	1.0741	6.3603	6.3603	1.8424

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	120.944
C2	C4	H7	120.944	C3	C5	H8	120.944
C3	C5	H9	120.944	H6	C4	H7	118.112
H8	C5	H9	118.112

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.601
2	C	0.506
3	C	0.506
4	C	-0.536
5	C	-0.536
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.165

<r²>	157.180
(<r²>)^1/2	12.537

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)