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	hartrees
Energy at 0K	-263.411036
Energy at 298.15K	-263.405807
Nuclear repulsion energy	210.038230

Atom	y (Å)	z (Å)
N1	0.000	1.398
N2	0.000	-1.398
C3	1.126	0.695
C4	-1.126	0.695
C5	-1.126	-0.695
C6	1.126	-0.695
H7	2.049	1.246
H8	-2.049	1.246
H9	-2.049	-1.246
H10	2.049	-1.246

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7955	1.3273	1.3273	2.3759	2.3759	2.0551	2.0551	3.3450	3.3450
N2	2.7955		2.3759	2.3759	1.3273	1.3273	3.3450	3.3450	2.0551	2.0551
C3	1.3273	2.3759		2.2515	2.6455	1.3890	1.0758	3.2227	3.7212	2.1490
C4	1.3273	2.3759	2.2515		1.3890	2.6455	3.2227	1.0758	2.1490	3.7212
C5	2.3759	1.3273	2.6455	1.3890		2.2515	3.7212	2.1490	1.0758	3.2227
C6	2.3759	1.3273	1.3890	2.6455	2.2515		2.1490	3.7212	3.2227	1.0758
H7	2.0551	3.3450	1.0758	3.2227	3.7212	2.1490		4.0990	4.7969	2.4917
H8	2.0551	3.3450	3.2227	1.0758	2.1490	3.7212	4.0990		2.4917	4.7969
H9	3.3450	2.0551	3.7212	2.1490	1.0758	3.2227	4.7969	2.4917		4.0990
H10	3.3450	2.0551	2.1490	3.7212	3.2227	1.0758	2.4917	4.7969	4.0990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.991	N1	C3	H7	117.178
N1	C4	C5	121.991	N1	C4	H8	117.178
N2	C5	C4	121.991	N2	C5	H9	117.178
N2	C6	C3	121.991	N2	C6	H10	117.178
C3	N1	C4	116.017	C3	C6	H10	120.831
C4	C5	H9	120.831	C5	N2	C6	116.017
C5	C4	H8	120.831	C6	C3	H7	120.831

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CID/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 C4H4N2 (Pyrazine)

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

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)