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	hartrees
Energy at 0K	-263.048384
Energy at 298.15K	-263.043124
Nuclear repulsion energy	207.306943

Atom	y (Å)	z (Å)
N1	0.000	1.404
N2	0.000	-1.404
C3	1.152	0.699
C4	-1.152	0.699
C5	-1.152	-0.699
C6	1.152	-0.699
H7	2.073	1.265
H8	-2.073	1.265
H9	-2.073	-1.265
H10	2.073	-1.265

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8076	1.3506	1.3506	2.3979	2.3979	2.0776	2.0776	3.3796	3.3796
N2	2.8076		2.3979	2.3979	1.3506	1.3506	3.3796	3.3796	2.0776	2.0776
C3	1.3506	2.3979		2.3043	2.6953	1.3982	1.0810	3.2745	3.7763	2.1696
C4	1.3506	2.3979	2.3043		1.3982	2.6953	3.2745	1.0810	2.1696	3.7763
C5	2.3979	1.3506	2.6953	1.3982		2.3043	3.7763	2.1696	1.0810	3.2745
C6	2.3979	1.3506	1.3982	2.6953	2.3043		2.1696	3.7763	3.2745	1.0810
H7	2.0776	3.3796	1.0810	3.2745	3.7763	2.1696		4.1460	4.8573	2.5307
H8	2.0776	3.3796	3.2745	1.0810	2.1696	3.7763	4.1460		2.5307	4.8573
H9	3.3796	2.0776	3.7763	2.1696	1.0810	3.2745	4.8573	2.5307		4.1460
H10	3.3796	2.0776	2.1696	3.7763	3.2745	1.0810	2.5307	4.8573	4.1460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.452	N1	C3	H7	116.958
N1	C4	C5	121.452	N1	C4	H8	116.958
N2	C5	C4	121.452	N2	C5	H9	116.958
N2	C6	C3	121.452	N2	C6	H10	116.958
C3	N1	C4	117.096	C3	C6	H10	121.590
C4	C5	H9	121.590	C5	N2	C6	117.096
C5	C4	H8	121.590	C6	C3	H7	121.590

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CISD/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 C4H4N2 (Pyrazine)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)