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	hartrees
Energy at 0K	-192.237118
Energy at 298.15K	-192.238391
HF Energy	-191.518491
Nuclear repulsion energy	121.043586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1918	1845
2	A₁	738	710
3	B₁	692	666
4	B₂	2184	2100
5	B₂	1323	1272
6	E	3231	3107
7	E	3231	3107
8	E	3150	3029
9	E	3149	3028
10	E	1519	1461
10	E	1466	1409
11	E	1027	987
11	E	1026	987
12	E	830	798
12	E	830	798
13	E	458	441
13	E	458	441
14	E	319	307
14	E	318	306
15	E	157	151
15	E	154	148

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.288
C3	0.000	0.000	-1.288
C4	0.000	0.000	2.614
C5	0.000	0.000	-2.614
H6	0.000	0.930	3.183
H7	0.000	-0.930	3.183
H8	0.930	0.000	-3.183
H9	-0.930	0.000	-3.183

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2878	1.2878	2.6136	2.6136	3.3157	3.3157	3.3157	3.3157
C2	1.2878		2.5756	1.3258	3.9014	2.1108	2.1108	4.5661	4.5661
C3	1.2878	2.5756		3.9014	1.3258	4.5661	4.5661	2.1108	2.1108
C4	2.6136	1.3258	3.9014		5.2272	1.0903	1.0903	5.8704	5.8704
C5	2.6136	3.9014	1.3258	5.2272		5.8704	5.8704	1.0903	1.0903
H6	3.3157	2.1108	4.5661	1.0903	5.8704		1.8599	6.4998	6.4998
H7	3.3157	2.1108	4.5661	1.0903	5.8704	1.8599		6.4998	6.4998
H8	3.3157	4.5661	2.1108	5.8704	1.0903	6.4998	6.4998		1.8599
H9	3.3157	4.5661	2.1108	5.8704	1.0903	6.4998	6.4998	1.8599

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	121.464
C2	C4	H7	121.464	C3	C5	H8	121.464
C3	C5	H9	121.464	H6	C4	H7	117.071
H8	C5	H9	117.071

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)