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	hartrees
Energy at 0K	-26.397666
Energy at 298.15K	-26.400028
HF Energy	-25.969462
Nuclear repulsion energy	31.339011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3597	3415	21.41
2	A	1229	1167	0.00
3	A	951	903	3.41
4	A	756	718	108.08
5	A	510	484	0.31
6	B	3599	3417	112.71
7	B	2186	2075	520.64
8	B	939	892	469.69
9	B	514	488	99.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.033
N2	0.000	1.249	-0.089
N3	0.000	-1.249	-0.089
H4	0.647	1.759	0.521
H5	-0.647	-1.759	0.521

	C1	N2	N3	H4	H5
C1		1.2551	1.2551	1.9364	1.9364
N2	1.2551		2.4985	1.0246	3.1364
N3	1.2551	2.4985		3.1364	1.0246
H4	1.9364	1.0246	3.1364		3.7474
H5	1.9364	3.1364	1.0246	3.7474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.925		C1	N3	H5	115.925
N2	C1	N3	168.909

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/CEP-31G*

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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