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	hartrees
Energy at 0K	-192.473437
Energy at 298.15K	-192.473874
HF Energy	-192.318061
Nuclear repulsion energy	121.251201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3164	0.00
2	A₁	1950	1950	0.00
3	A₁	1502	1502	0.00
4	A₁	747	747	0.00
5	B₁	712	712	0.00
6	B₂	3163	3163	3.93
7	B₂	2240	2240	119.87
8	B₂	1546	1546	6.61
9	B₂	1347	1347	9.59
10	E	3243	3243	5.15
10	E	3243	3243	5.15
11	E	1060	1060	0.68
11	E	1060	1060	0.68
12	E	905	905	72.13
12	E	905	905	72.13
13	E	353	353	0.20
13	E	353	353	0.20
14	E	185	185	1.55
14	E	185	185	1.55
15	E	52	52	1.62
15	E	52	52	1.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286
C4	0.000	0.000	2.609
C5	0.000	0.000	-2.609
H6	0.000	0.924	3.182
H7	0.000	-0.924	3.182
H8	0.924	0.000	-3.182
H9	-0.924	0.000	-3.182

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2858	1.2858	2.6094	2.6094	3.3131	3.3131	3.3131	3.3131
C2	1.2858		2.5716	1.3235	3.8952	2.1090	2.1090	4.5621	4.5621
C3	1.2858	2.5716		3.8952	1.3235	4.5621	4.5621	2.1090	2.1090
C4	2.6094	1.3235	3.8952		5.2187	1.0866	1.0866	5.8643	5.8643
C5	2.6094	3.8952	1.3235	5.2187		5.8643	5.8643	1.0866	1.0866
H6	3.3131	2.1090	4.5621	1.0866	5.8643		1.8473	6.4962	6.4962
H7	3.3131	2.1090	4.5621	1.0866	5.8643	1.8473		6.4962	6.4962
H8	3.3131	4.5621	2.1090	5.8643	1.0866	6.4962	6.4962		1.8473
H9	3.3131	4.5621	2.1090	5.8643	1.0866	6.4962	6.4962	1.8473

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	121.786
C2	C4	H7	121.786	C3	C5	H8	121.786
C3	C5	H9	121.786	H6	C4	H7	116.428
H8	C5	H9	116.428

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP=FULL/6-31G

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: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)