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	hartrees
Energy at 0K	-263.402371
Energy at 298.15K	-263.397166
Nuclear repulsion energy	210.109082

Atom	y (Å)	z (Å)
N1	0.000	1.398
N2	0.000	-1.398
C3	1.125	0.694
C4	-1.125	0.694
C5	-1.125	-0.694
C6	1.125	-0.694
H7	2.050	1.245
H8	-2.050	1.245
H9	-2.050	-1.245
H10	2.050	-1.245

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7955	1.3272	1.3272	2.3749	2.3749	2.0552	2.0552	3.3443	3.3443
N2	2.7955		2.3749	2.3749	1.3272	1.3272	3.3443	3.3443	2.0552	2.0552
C3	1.3272	2.3749		2.2502	2.6437	1.3876	1.0763	3.2221	3.7199	2.1479
C4	1.3272	2.3749	2.2502		1.3876	2.6437	3.2221	1.0763	2.1479	3.7199
C5	2.3749	1.3272	2.6437	1.3876		2.2502	3.7199	2.1479	1.0763	3.2221
C6	2.3749	1.3272	1.3876	2.6437	2.2502		2.1479	3.7199	3.2221	1.0763
H7	2.0552	3.3443	1.0763	3.2221	3.7199	2.1479		4.0991	4.7961	2.4900
H8	2.0552	3.3443	3.2221	1.0763	2.1479	3.7199	4.0991		2.4900	4.7961
H9	3.3443	2.0552	3.7199	2.1479	1.0763	3.2221	4.7961	2.4900		4.0991
H10	3.3443	2.0552	2.1479	3.7199	3.2221	1.0763	2.4900	4.7961	4.0991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.033	N1	C3	H7	117.161
N1	C4	C5	122.033	N1	C4	H8	117.161
N2	C5	C4	122.033	N2	C5	H9	117.161
N2	C6	C3	122.033	N2	C6	H10	117.161
C3	N1	C4	115.934	C3	C6	H10	120.806
C4	C5	H9	120.806	C5	N2	C6	115.934
C5	C4	H8	120.806	C6	C3	H7	120.806

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)