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	hartrees
Energy at 0K	-192.331526
Energy at 298.15K	-192.332829
HF Energy	-191.565359
Nuclear repulsion energy	121.620310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3007	0.00
2	A₁	1930	1831	0.00
3	A₁	1443	1369	0.00
4	A₁	739	701	0.00
5	B₁	705	669	0.00
6	B₂	3169	3007	0.01
7	B₂	2210	2097	117.53
8	B₂	1506	1429	4.45
9	B₂	1317	1250	3.91
10	E	3261	3094	0.29
10	E	3261	3094	0.29
11	E	1003	951	0.10
11	E	1003	951	0.10
12	E	820	777	54.77
12	E	820	777	54.77
13	E	480	455	0.11
13	E	480	455	0.11
14	E	305	289	0.18
14	E	305	289	0.18
15	E	154	146	3.77
15	E	154	146	3.77

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	2.602
C5	0.000	0.000	-2.602
H6	0.000	0.932	3.160
H7	0.000	-0.932	3.160
H8	0.932	0.000	-3.160
H9	-0.932	0.000	-3.160

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2812	1.2812	2.6016	2.6016	3.2943	3.2943	3.2943	3.2943
C2	1.2812		2.5624	1.3204	3.8828	2.0970	2.0970	4.5376	4.5376
C3	1.2812	2.5624		3.8828	1.3204	4.5376	4.5376	2.0970	2.0970
C4	2.6016	1.3204	3.8828		5.2033	1.0863	1.0863	5.8362	5.8362
C5	2.6016	3.8828	1.3204	5.2033		5.8362	5.8362	1.0863	1.0863
H6	3.2943	2.0970	4.5376	1.0863	5.8362		1.8640	6.4553	6.4553
H7	3.2943	2.0970	4.5376	1.0863	5.8362	1.8640		6.4553	6.4553
H8	3.2943	4.5376	2.0970	5.8362	1.0863	6.4553	6.4553		1.8640
H9	3.2943	4.5376	2.0970	5.8362	1.0863	6.4553	6.4553	1.8640

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	120.911
C2	C4	H7	120.911	C3	C5	H8	120.911
C3	C5	H9	120.911	H6	C4	H7	118.178
H8	C5	H9	118.178

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/6-311G**

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: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)