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	hartrees
Energy at 0K	-263.403303
Energy at 298.15K	-263.398095
Nuclear repulsion energy	209.296589

Atom	y (Å)	z (Å)
N1	0.000	1.406
N2	0.000	-1.406
C3	1.126	0.697
C4	-1.126	0.697
C5	-1.126	-0.697
C6	1.126	-0.697
H7	2.062	1.251
H8	-2.062	1.251
H9	-2.062	-1.251
H10	2.062	-1.251

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8129	1.3305	1.3305	2.3857	2.3857	2.0677	2.0677	3.3634	3.3634
N2	2.8129		2.3857	2.3857	1.3305	1.3305	3.3634	3.3634	2.0677	2.0677
C3	1.3305	2.3857		2.2511	2.6478	1.3940	1.0878	3.2352	3.7355	2.1612
C4	1.3305	2.3857	2.2511		1.3940	2.6478	3.2352	1.0878	2.1612	3.7355
C5	2.3857	1.3305	2.6478	1.3940		2.2511	3.7355	2.1612	1.0878	3.2352
C6	2.3857	1.3305	1.3940	2.6478	2.2511		2.1612	3.7355	3.2352	1.0878
H7	2.0677	3.3634	1.0878	3.2352	3.7355	2.1612		4.1237	4.8232	2.5017
H8	2.0677	3.3634	3.2352	1.0878	2.1612	3.7355	4.1237		2.5017	4.8232
H9	3.3634	2.0677	3.7355	2.1612	1.0878	3.2352	4.8232	2.5017		4.1237
H10	3.3634	2.0677	2.1612	3.7355	3.2352	1.0878	2.5017	4.8232	4.1237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.222	N1	C3	H7	117.174
N1	C4	C5	122.222	N1	C4	H8	117.174
N2	C5	C4	122.222	N2	C5	H9	117.174
N2	C6	C3	122.222	N2	C6	H10	117.174
C3	N1	C4	115.556	C3	C6	H10	120.605
C4	C5	H9	120.605	C5	N2	C6	115.556
C5	C4	H8	120.605	C6	C3	H7	120.605

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CID/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)