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	hartrees
Energy at 0K	-261.686603
Energy at 298.15K	-261.681417
Nuclear repulsion energy	207.893246

Atom	y (Å)	z (Å)
N1	0.000	1.401
N2	0.000	-1.401
C3	1.149	0.695
C4	-1.149	0.695
C5	-1.149	-0.695
C6	1.149	-0.695
H7	2.072	1.253
H8	-2.072	1.253
H9	-2.072	-1.253
H10	2.072	-1.253

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8010	1.3482	1.3482	2.3903	2.3903	2.0776	2.0776	3.3672	3.3672
N2	2.8010		2.3903	2.3903	1.3482	1.3482	3.3672	3.3672	2.0776	2.0776
C3	1.3482	2.3903		2.2983	2.6864	1.3910	1.0787	3.2694	3.7651	2.1565
C4	1.3482	2.3903	2.2983		1.3910	2.6864	3.2694	1.0787	2.1565	3.7651
C5	2.3903	1.3482	2.6864	1.3910		2.2983	3.7651	2.1565	1.0787	3.2694
C6	2.3903	1.3482	1.3910	2.6864	2.2983		2.1565	3.7651	3.2694	1.0787
H7	2.0776	3.3672	1.0787	3.2694	3.7651	2.1565		4.1447	4.8438	2.5067
H8	2.0776	3.3672	3.2694	1.0787	2.1565	3.7651	4.1447		2.5067	4.8438
H9	3.3672	2.0776	3.7651	2.1565	1.0787	3.2694	4.8438	2.5067		4.1447
H10	3.3672	2.0776	2.1565	3.7651	3.2694	1.0787	2.5067	4.8438	4.1447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.530	N1	C3	H7	117.327
N1	C4	C5	121.530	N1	C4	H8	117.327
N2	C5	C4	121.530	N2	C5	H9	117.327
N2	C6	C3	121.530	N2	C6	H10	117.327
C3	N1	C4	116.940	C3	C6	H10	121.143
C4	C5	H9	121.143	C5	N2	C6	116.940
C5	C4	H8	121.143	C6	C3	H7	121.143

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CID/3-21G

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 C4H4N2 (Pyrazine)

using model chemistry: CID/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)