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	hartrees
Energy at 0K	-148.652901
Energy at 298.15K
HF Energy	-147.970100
Nuclear repulsion energy	60.468509

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.012
N2	0.000	1.213	-0.078
N3	0.000	-1.213	-0.078
H4	0.623	1.736	0.513
H5	-0.623	-1.736	0.513

	C1	N2	N3	H4	H5
C1		1.2166	1.2166	1.9109	1.9109
N2	1.2166		2.4265	1.0055	3.0715
N3	1.2166	2.4265		3.0715	1.0055
H4	1.9109	1.0055	3.0715		3.6880
H5	1.9109	3.0715	1.0055	3.6880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.307		C1	N3	H5	118.307
N2	C1	N3	171.460

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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