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	hartrees
Energy at 0K	-192.725824
Energy at 298.15K	-192.727417
HF Energy	-192.725824
Nuclear repulsion energy	122.140751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3172	0.00
2	A₁	2000	2000	0.00
3	A₁	1453	1453	0.00
4	A₁	767	767	0.00
5	B₁	702	702	0.00
6	B₂	3172	3172	1.56
7	B₂	2299	2299	193.08
8	B₂	1549	1549	13.34
9	B₂	1343	1343	7.79
10	E	3260	3260	1.04
10	E	3260	3260	1.04
11	E	1023	1023	0.18
11	E	1023	1023	0.18
12	E	878	878	61.55
12	E	878	878	61.55
13	E	584	584	0.05
13	E	584	584	0.05
14	E	353	353	0.14
14	E	353	353	0.14
15	E	155	155	3.05
15	E	155	155	3.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
C4	0.000	0.000	2.588
C5	0.000	0.000	-2.588
H6	0.000	0.930	3.149
H7	0.000	-0.930	3.149
H8	0.930	0.000	-3.149
H9	-0.930	0.000	-3.149

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2782	1.2782	2.5879	2.5879	3.2833	3.2833	3.2833	3.2833
C2	1.2782		2.5563	1.3098	3.8661	2.0891	2.0891	4.5236	4.5236
C3	1.2782	2.5563		3.8661	1.3098	4.5236	4.5236	2.0891	2.0891
C4	2.5879	1.3098	3.8661		5.1758	1.0862	1.0862	5.8116	5.8116
C5	2.5879	3.8661	1.3098	5.1758		5.8116	5.8116	1.0862	1.0862
H6	3.2833	2.0891	4.5236	1.0862	5.8116		1.8602	6.4336	6.4336
H7	3.2833	2.0891	4.5236	1.0862	5.8116	1.8602		6.4336	6.4336
H8	3.2833	4.5236	2.0891	5.8116	1.0862	6.4336	6.4336		1.8602
H9	3.2833	4.5236	2.0891	5.8116	1.0862	6.4336	6.4336	1.8602

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	121.092
C2	C4	H7	121.092	C3	C5	H8	121.092
C3	C5	H9	121.092	H6	C4	H7	117.815
H8	C5	H9	117.815

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.643
2	C	-0.151
3	C	-0.151
4	C	-0.494
5	C	-0.494
6	H	0.161
7	H	0.161
8	H	0.161
9	H	0.161

<r²>	159.545
(<r²>)^1/2	12.631

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)