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	hartrees
Energy at 0K	-192.438899
Energy at 298.15K	-192.440180
HF Energy	-191.594058
Nuclear repulsion energy	121.441793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1893	1893
2	A₁	728	728
3	B₁	686	686
4	B₂	2153	2153
5	B₂	1302	1302
6	E	3223	3223
7	E	3222	3222
8	E	3135	3135
9	E	3134	3134
10	E	1497	1497
10	E	1442	1442
11	E	1005	1005
11	E	1003	1003
12	E	823	823
12	E	823	823
13	E	497	497
13	E	497	497
14	E	307	307
14	E	306	306
15	E	147	147
15	E	142	142

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.284
C3	0.000	0.000	-1.284
C4	0.000	0.000	2.607
C5	0.000	0.000	-2.607
H6	0.000	0.930	3.163
H7	0.000	-0.930	3.163
H8	0.930	0.000	-3.163
H9	-0.930	0.000	-3.163

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2839	1.2839	2.6068	2.6068	3.2975	3.2975	3.2975	3.2975
C2	1.2839		2.5678	1.3229	3.8907	2.0973	2.0973	4.5436	4.5436
C3	1.2839	2.5678		3.8907	1.3229	4.5436	4.5436	2.0973	2.0973
C4	2.6068	1.3229	3.8907		5.2136	1.0842	1.0842	5.8448	5.8448
C5	2.6068	3.8907	1.3229	5.2136		5.8448	5.8448	1.0842	1.0842
H6	3.2975	2.0973	4.5436	1.0842	5.8448		1.8608	6.4623	6.4623
H7	3.2975	2.0973	4.5436	1.0842	5.8448	1.8608		6.4623	6.4623
H8	3.2975	4.5436	2.0973	5.8448	1.0842	6.4623	6.4623		1.8608
H9	3.2975	4.5436	2.0973	5.8448	1.0842	6.4623	6.4623	1.8608

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	120.892
C2	C4	H7	120.892	C3	C5	H8	120.892
C3	C5	H9	120.892	H6	C4	H7	118.216
H8	C5	H9	118.216

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4/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: MP4/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)