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	hartrees
Energy at 0K	-263.556989
Energy at 298.15K
HF Energy	-262.704751
Nuclear repulsion energy	208.079462

Atom	y (Å)	z (Å)
C1	0.000	1.350
C2	0.000	-1.311
C3	1.194	0.624
C4	-1.194	0.624
N5	1.203	-0.714
N6	-1.203	-0.714
H7	0.000	2.430
H8	0.000	-2.388
H9	2.152	1.121
H10	-2.152	1.121

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6606	1.3971	1.3971	2.3893	2.3893	1.0803	3.7379	2.1642	2.1642
C2	2.6606		2.2736	2.2736	1.3432	1.3432	3.7408	1.0773	3.2473	3.2473
C3	1.3971	2.2736		2.3877	1.3384	2.7456	2.1649	3.2402	1.0794	3.3827
C4	1.3971	2.2736	2.3877		2.7456	1.3384	2.1649	3.2402	3.3827	1.0794
N5	2.3893	1.3432	1.3384	2.7456		2.4069	3.3668	2.0615	2.0659	3.8247
N6	2.3893	1.3432	2.7456	1.3384	2.4069		3.3668	2.0615	3.8247	2.0659
H7	1.0803	3.7408	2.1649	2.1649	3.3668	3.3668		4.8181	2.5190	2.5190
H8	3.7379	1.0773	3.2402	3.2402	2.0615	2.0615	4.8181		4.1164	4.1164
H9	2.1642	3.2473	1.0794	3.3827	2.0659	3.8247	2.5190	4.1164		4.3042
H10	2.1642	3.2473	3.3827	1.0794	3.8247	2.0659	2.5190	4.1164	4.3042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	121.703	C1	C3	H9	121.299
C1	C4	N6	121.703	C1	C4	H10	121.299
C2	N5	C3	115.956	C2	N6	C4	115.956
C3	C1	C4	117.414	C3	C1	H7	121.293
C4	C1	H7	121.293	N5	C2	N6	127.267
N5	C2	H8	116.367	N5	C3	H9	116.997
N6	C2	H8	116.367	N6	C4	H10	116.997

All results from a given calculation for C₄H₄N₂ (1,3-Diazine)

using model chemistry: MP2/6-31+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 (1,3-Diazine)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (1,3-Diazine)