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	hartrees
Energy at 0K	-263.414129
Energy at 298.15K	-263.408888
Nuclear repulsion energy	209.975575

Atom	y (Å)	z (Å)
N1	0.000	1.398
N2	0.000	-1.398
C3	1.126	0.694
C4	-1.126	0.694
C5	-1.126	-0.694
C6	1.126	-0.694
H7	2.050	1.246
H8	-2.050	1.246
H9	-2.050	-1.246
H10	2.050	-1.246

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7958	1.3280	1.3280	2.3763	2.3763	2.0560	2.0560	3.3456	3.3456
N2	2.7958		2.3763	2.3763	1.3280	1.3280	3.3456	3.3456	2.0560	2.0560
C3	1.3280	2.3763		2.2527	2.6465	1.3890	1.0759	3.2242	3.7224	2.1490
C4	1.3280	2.3763	2.2527		1.3890	2.6465	3.2242	1.0759	2.1490	3.7224
C5	2.3763	1.3280	2.6465	1.3890		2.2527	3.7224	2.1490	1.0759	3.2242
C6	2.3763	1.3280	1.3890	2.6465	2.2527		2.1490	3.7224	3.2242	1.0759
H7	2.0560	3.3456	1.0759	3.2242	3.7224	2.1490		4.1007	4.7983	2.4915
H8	2.0560	3.3456	3.2242	1.0759	2.1490	3.7224	4.1007		2.4915	4.7983
H9	3.3456	2.0560	3.7224	2.1490	1.0759	3.2242	4.7983	2.4915		4.1007
H10	3.3456	2.0560	2.1490	3.7224	3.2242	1.0759	2.4915	4.7983	4.1007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.984	N1	C3	H7	117.195
N1	C4	C5	121.984	N1	C4	H8	117.195
N2	C5	C4	121.984	N2	C5	H9	117.195
N2	C6	C3	121.984	N2	C6	H10	117.195
C3	N1	C4	116.031	C3	C6	H10	120.821
C4	C5	H9	120.821	C5	N2	C6	116.031
C5	C4	H8	120.821	C6	C3	H7	120.821

All results from a given calculation for C₄H₄N₂ (Pyrazine)

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

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)