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	hartrees
Energy at 0K	-147.755651
Energy at 298.15K
HF Energy	-147.643128
Nuclear repulsion energy	59.724013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3576	3576	17.55
2	A	1273	1273	0.37
3	A	836	836	20.91
4	A	686	686	145.15
5	A	532	532	1.24
6	B	3578	3578	136.83
7	B	2274	2274	361.32
8	B	828	828	614.83
9	B	541	541	70.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.028
N2	0.000	1.223	-0.075
N3	0.000	-1.223	-0.075
H4	0.580	1.875	0.443
H5	-0.580	-1.875	0.443

	C1	N2	N3	H4	H5
C1		1.2277	1.2277	2.0062	2.0062
N2	1.2277		2.4466	1.0149	3.1947
N3	1.2277	2.4466		3.1947	1.0149
H4	2.0062	1.0149	3.1947		3.9256
H5	2.0062	3.1947	1.0149	3.9256

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.653		C1	N3	H5	126.653
N2	C1	N3	170.319

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULLultrafine/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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