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	hartrees
Energy at 0K	-261.067872
Energy at 298.15K
HF Energy	-260.268063
Nuclear repulsion energy	142.998733

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.595
C2	0.000	0.000	-0.595
C3	0.000	0.000	1.973
C4	0.000	0.000	-1.973
N5	0.000	0.000	3.134
N6	0.000	0.000	-3.134

	C1	C2	C3	C4	N5	N6
C1		1.1895	1.3782	2.5677	2.5388	3.7283
C2	1.1895		2.5677	1.3782	3.7283	2.5388
C3	1.3782	2.5677		3.9458	1.1607	5.1065
C4	2.5677	1.3782	3.9458		5.1065	1.1607
N5	2.5388	3.7283	1.1607	5.1065		6.2672
N6	3.7283	2.5388	5.1065	1.1607	6.2672

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C4	180.000		C1	C3	N5	180.000
C2	C1	C3	180.000		C2	C4	N6	180.000

All results from a given calculation for C₄N₂ (2-Butynedinitrile)

using model chemistry: MP3/6-31+G**

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 C4N2 (2-Butynedinitrile)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄N₂ (2-Butynedinitrile)