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	hartrees
Energy at 0K	-148.510625
Energy at 298.15K	-148.512999
HF Energy	-147.956179
Nuclear repulsion energy	60.000214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3440	31.85
2	A	1262	1191	0.01
3	A	890	840	10.65
4	A	709	669	91.77
5	A	535	505	0.58
6	B	3646	3439	189.79
7	B	2216	2090	640.70
8	B	880	831	474.26
9	B	543	512	97.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.027
N2	0.000	1.221	-0.083
N3	0.000	-1.221	-0.083
H4	0.615	1.773	0.499
H5	-0.615	-1.773	0.499

	C1	N2	N3	H4	H5
C1		1.2262	1.2262	1.9352	1.9352
N2	1.2262		2.4427	1.0105	3.1116
N3	1.2262	2.4427		3.1116	1.0105
H4	1.9352	1.0105	3.1116		3.7531
H5	1.9352	3.1116	1.0105	3.7531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.491		C1	N3	H5	119.491
N2	C1	N3	169.778

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/6-311+G(3df,2p)

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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