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	hartrees
Energy at 0K	-148.579782
Energy at 298.15K
HF Energy	-147.961623
Nuclear repulsion energy	60.546918

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.011
N2	0.000	1.212	-0.079
N3	0.000	-1.212	-0.079
H4	0.624	1.729	0.516
H5	-0.624	-1.729	0.516

	C1	N2	N3	H4	H5
C1		1.2150	1.2150	1.9062	1.9062
N2	1.2150		2.4234	1.0051	3.0645
N3	1.2150	2.4234		3.0645	1.0051
H4	1.9062	1.0051	3.0645		3.6764
H5	1.9062	3.0645	1.0051	3.6764

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.003		C1	N3	H5	118.003
N2	C1	N3	171.498

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/daug-cc-pVTZ

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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