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	hartrees
Energy at 0K	-192.291478
Energy at 298.15K
HF Energy	-191.539260
Nuclear repulsion energy	120.026022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1881	1881
2	A₁	722	722
3	B₁	673	673
4	B₂	2148	2148
5	B₂	1291	1291
6	E	3228	3228
7	E	3228	3228
8	E	3131	3131
9	E	3131	3131
10	E	1479	1479
10	E	1424	1424
11	E	967	967
11	E	966	966
12	E	837	837
12	E	837	837
13	E	318	318
13	E	318	318
14	E	138	138
14	E	136	136
15	E	498i	498i
15	E	498i	498i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.299
C3	0.000	0.000	-1.299
C4	0.000	0.000	2.638
C5	0.000	0.000	-2.638
H6	0.000	0.940	3.201
H7	0.000	-0.940	3.201
H8	0.940	0.000	-3.201
H9	-0.940	0.000	-3.201

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2992	1.2992	2.6381	2.6381	3.3364	3.3364	3.3364	3.3364
C2	1.2992		2.5984	1.3389	3.9373	2.1216	2.1216	4.5976	4.5976
C3	1.2992	2.5984		3.9373	1.3389	4.5976	4.5976	2.1216	2.1216
C4	2.6381	1.3389	3.9373		5.2763	1.0956	1.0956	5.9145	5.9145
C5	2.6381	3.9373	1.3389	5.2763		5.9145	5.9145	1.0956	1.0956
H6	3.3364	2.1216	4.5976	1.0956	5.9145		1.8797	6.5390	6.5390
H7	3.3364	2.1216	4.5976	1.0956	5.9145	1.8797		6.5390	6.5390
H8	3.3364	4.5976	2.1216	5.9145	1.0956	6.5390	6.5390		1.8797
H9	3.3364	4.5976	2.1216	5.9145	1.0956	6.5390	6.5390	1.8797

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	120.929
C2	C4	H7	120.929	C3	C5	H8	120.929
C3	C5	H9	120.929	H6	C4	H7	118.142
H8	C5	H9	118.142

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4=FULL/daug-cc-pVDZ

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: MP4=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)