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	hartrees
Energy at 0K	-192.485107
Energy at 298.15K	-192.486576
HF Energy	-191.596232
Nuclear repulsion energy	122.261489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3165	0.00
2	A₁	1956	1956	0.00
3	A₁	1473	1473	0.00
4	A₁	751	751	0.00
5	B₁	699	699	0.00
6	B₂	3164	3164	0.86
7	B₂	2238	2238	139.32
8	B₂	1541	1541	8.91
9	B₂	1335	1335	8.03
10	E	3248	3248	0.22
10	E	3248	3248	0.22
11	E	1035	1035	0.21
11	E	1035	1035	0.21
12	E	884	884	50.43
12	E	884	884	50.43
13	E	529	529	0.65
13	E	529	529	0.65
14	E	328	328	0.12
14	E	328	328	0.12
15	E	152	152	4.64
15	E	152	152	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.276
C3	0.000	0.000	-1.276
C4	0.000	0.000	2.588
C5	0.000	0.000	-2.588
H6	0.000	0.926	3.143
H7	0.000	-0.926	3.143
H8	0.926	0.000	-3.143
H9	-0.926	0.000	-3.143

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2764	1.2764	2.5881	2.5881	3.2763	3.2763	3.2763	3.2763
C2	1.2764		2.5527	1.3117	3.8644	2.0835	2.0835	4.5150	4.5150
C3	1.2764	2.5527		3.8644	1.3117	4.5150	4.5150	2.0835	2.0835
C4	2.5881	1.3117	3.8644		5.1761	1.0795	1.0795	5.8051	5.8051
C5	2.5881	3.8644	1.3117	5.1761		5.8051	5.8051	1.0795	1.0795
H6	3.2763	2.0835	4.5150	1.0795	5.8051		1.8522	6.4204	6.4204
H7	3.2763	2.0835	4.5150	1.0795	5.8051	1.8522		6.4204	6.4204
H8	3.2763	4.5150	2.0835	5.8051	1.0795	6.4204	6.4204		1.8522
H9	3.2763	4.5150	2.0835	5.8051	1.0795	6.4204	6.4204	1.8522

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	120.916
C2	C4	H7	120.916	C3	C5	H8	120.916
C3	C5	H9	120.916	H6	C4	H7	118.168
H8	C5	H9	118.168

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD=FULL/Def2TZVPP

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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)