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	hartrees
Energy at 0K	-192.532688
Energy at 298.15K	-192.534012
HF Energy	-191.594935
Nuclear repulsion energy	121.729201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1904	1904
2	A₁	733	733
3	B₁	681	681
4	B₂	2160	2160
5	B₂	1309	1309
6	E	3222	3222
7	E	3221	3221
8	E	3138	3138
9	E	3137	3137
10	E	1511	1511
10	E	1455	1455
11	E	1016	1016
11	E	1016	1016
12	E	843	843
12	E	843	843
13	E	504	504
13	E	504	504
14	E	309	309
14	E	308	308
15	E	149	149
15	E	145	145

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.281
C3	0.000	0.000	-1.281
C4	0.000	0.000	2.601
C5	0.000	0.000	-2.601
H6	0.000	0.928	3.156
H7	0.000	-0.928	3.156
H8	0.928	0.000	-3.156
H9	-0.928	0.000	-3.156

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2810	1.2810	2.6006	2.6006	3.2898	3.2898	3.2898	3.2898
C2	1.2810		2.5620	1.3197	3.8816	2.0923	2.0923	4.5332	4.5332
C3	1.2810	2.5620		3.8816	1.3197	4.5332	4.5332	2.0923	2.0923
C4	2.6006	1.3197	3.8816		5.2013	1.0816	1.0816	5.8311	5.8311
C5	2.6006	3.8816	1.3197	5.2013		5.8311	5.8311	1.0816	1.0816
H6	3.2898	2.0923	4.5332	1.0816	5.8311		1.8561	6.4473	6.4473
H7	3.2898	2.0923	4.5332	1.0816	5.8311	1.8561		6.4473	6.4473
H8	3.2898	4.5332	2.0923	5.8311	1.0816	6.4473	6.4473		1.8561
H9	3.2898	4.5332	2.0923	5.8311	1.0816	6.4473	6.4473	1.8561

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	118.190
H8	C5	H9	118.190

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)