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	hartrees
Energy at 0K	-192.237692
Energy at 298.15K	-192.238810
HF Energy	-191.565073
Nuclear repulsion energy	121.514478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3006	0.00
2	A₁	1925	1829	0.00
3	A₁	1444	1372	0.00
4	A₁	738	701	0.00
5	B₁	704	669	0.00
6	B₂	3164	3006	0.03
7	B₂	2203	2093	115.51
8	B₂	1505	1430	4.03
9	B₂	1315	1250	4.03
10	E	3256	3094	0.33
10	E	3256	3094	0.33
11	E	1001	952	0.08
11	E	1001	952	0.08
12	E	818	777	54.52
12	E	818	777	54.52
13	E	434	413	0.05
13	E	434	413	0.05
14	E	270	256	0.36
14	E	270	256	0.36
15	E	149	142	3.60
15	E	149	142	3.60

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	2.604
C5	0.000	0.000	-2.604
H6	0.000	0.932	3.162
H7	0.000	-0.932	3.162
H8	0.932	0.000	-3.162
H9	-0.932	0.000	-3.162

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2824	1.2824	2.6041	2.6041	3.2968	3.2968	3.2968	3.2968
C2	1.2824		2.5648	1.3217	3.8866	2.0984	2.0984	4.5414	4.5414
C3	1.2824	2.5648		3.8866	1.3217	4.5414	4.5414	2.0984	2.0984
C4	2.6041	1.3217	3.8866		5.2083	1.0867	1.0867	5.8413	5.8413
C5	2.6041	3.8866	1.3217	5.2083		5.8413	5.8413	1.0867	1.0867
H6	3.2968	2.0984	4.5414	1.0867	5.8413		1.8648	6.4605	6.4605
H7	3.2968	2.0984	4.5414	1.0867	5.8413	1.8648		6.4605	6.4605
H8	3.2968	4.5414	2.0984	5.8413	1.0867	6.4605	6.4605		1.8648
H9	3.2968	4.5414	2.0984	5.8413	1.0867	6.4605	6.4605	1.8648

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	120.905
C2	C4	H7	120.905	C3	C5	H8	120.905
C3	C5	H9	120.905	H6	C4	H7	118.191
H8	C5	H9	118.191

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/6-311G**

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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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)