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	hartrees
Energy at 0K	-147.337701
Energy at 298.15K	-147.340076
HF Energy	-147.053926
Nuclear repulsion energy	59.974621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3377	17.64
2	A	1313	1223	0.10
3	A	874	814	17.19
4	A	800	745	149.02
5	A	519	483	1.32
6	B	3625	3377	136.16
7	B	2306	2148	489.92
8	B	870	810	731.74
9	B	525	489	87.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.219	-0.074
N3	0.000	-1.219	-0.074
H4	0.588	1.848	0.459
H5	-0.588	-1.848	0.459

	C1	N2	N3	H4	H5
C1		1.2226	1.2226	1.9887	1.9887
N2	1.2226		2.4380	1.0128	3.1684
N3	1.2226	2.4380		3.1684	1.0128
H4	1.9887	1.0128	3.1684		3.8792
H5	1.9887	3.1684	1.0128	3.8792

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.388		C1	N3	H5	125.388
N2	C1	N3	171.174

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CID/3-21G

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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