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	hartrees
Energy at 0K	-263.557533
Energy at 298.15K
HF Energy	-262.698591
Nuclear repulsion energy	208.961144

Atom	y (Å)	z (Å)
C1	0.000	1.355
C2	0.000	-1.312
C3	1.185	0.623
C4	-1.185	0.623
N5	1.196	-0.715
N6	-1.196	-0.715
H7	0.000	2.434
H8	0.000	-2.394
H9	2.148	1.117
H10	-2.148	1.117

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6675	1.3933	1.3933	2.3910	2.3910	1.0785	3.7496	2.1617	2.1617
C2	2.6675		2.2689	2.2689	1.3369	1.3369	3.7460	1.0821	3.2428	3.2428
C3	1.3933	2.2689		2.3702	1.3376	2.7311	2.1645	3.2413	1.0827	3.3700
C4	1.3933	2.2689	2.3702		2.7311	1.3376	2.1645	3.2413	3.3700	1.0827
N5	2.3910	1.3369	1.3376	2.7311		2.3922	3.3683	2.0618	2.0645	3.8133
N6	2.3910	1.3369	2.7311	1.3376	2.3922		3.3683	2.0618	3.8133	2.0645
H7	1.0785	3.7460	2.1645	2.1645	3.3683	3.3683		4.8282	2.5200	2.5200
H8	3.7496	1.0821	3.2413	3.2413	2.0618	2.0618	4.8282		4.1163	4.1163
H9	2.1617	3.2428	1.0827	3.3700	2.0645	3.8133	2.5200	4.1163		4.2969
H10	2.1617	3.2428	3.3700	1.0827	3.8133	2.0645	2.5200	4.1163	4.2969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.199	C1	C3	H9	121.114
C1	C4	N6	122.199	C1	C4	H10	121.114
C2	N5	C3	116.064	C2	N6	C4	116.064
C3	C1	C4	116.544	C3	C1	H7	121.728
C4	C1	H7	121.728	N5	C2	N6	126.932
N5	C2	H8	116.534	N5	C3	H9	116.688
N6	C2	H8	116.534	N6	C4	H10	116.688

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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