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	hartrees
Energy at 0K	-261.690159
Energy at 298.15K	-261.684959
Nuclear repulsion energy	207.799199

Atom	y (Å)	z (Å)
N1	0.000	1.401
N2	0.000	-1.401
C3	1.150	0.696
C4	-1.150	0.696
C5	-1.150	-0.696
C6	1.150	-0.696
H7	2.073	1.254
H8	-2.073	1.254
H9	-2.073	-1.254
H10	2.073	-1.254

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8024	1.3489	1.3489	2.3914	2.3914	2.0783	2.0783	3.3684	3.3684
N2	2.8024		2.3914	2.3914	1.3489	1.3489	3.3684	3.3684	2.0783	2.0783
C3	1.3489	2.3914		2.2995	2.6877	1.3915	1.0788	3.2708	3.7666	2.1571
C4	1.3489	2.3914	2.2995		1.3915	2.6877	3.2708	1.0788	2.1571	3.7666
C5	2.3914	1.3489	2.6877	1.3915		2.2995	3.7666	2.1571	1.0788	3.2708
C6	2.3914	1.3489	1.3915	2.6877	2.2995		2.1571	3.7666	3.2708	1.0788
H7	2.0783	3.3684	1.0788	3.2708	3.7666	2.1571		4.1461	4.8454	2.5075
H8	2.0783	3.3684	3.2708	1.0788	2.1571	3.7666	4.1461		2.5075	4.8454
H9	3.3684	2.0783	3.7666	2.1571	1.0788	3.2708	4.8454	2.5075		4.1461
H10	3.3684	2.0783	2.1571	3.7666	3.2708	1.0788	2.5075	4.8454	4.1461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.532	N1	C3	H7	117.322
N1	C4	C5	121.532	N1	C4	H8	117.322
N2	C5	C4	121.532	N2	C5	H9	117.322
N2	C6	C3	121.532	N2	C6	H10	117.322
C3	N1	C4	116.937	C3	C6	H10	121.147
C4	C5	H9	121.147	C5	N2	C6	116.937
C5	C4	H8	121.147	C6	C3	H7	121.147

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)