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	hartrees
Energy at 0K	-148.713905
Energy at 298.15K
HF Energy	-148.537260
Nuclear repulsion energy	60.162963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3625	26.02
2	A	1278	1278	0.00
3	A	874	874	9.03
4	A	720	720	116.20
5	A	533	533	0.41
6	B	3624	3624	147.90
7	B	2226	2226	615.83
8	B	868	868	470.83
9	B	535	535	90.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
N2	0.000	1.218	-0.080
N3	0.000	-1.218	-0.080
H4	0.614	1.776	0.495
H5	-0.614	-1.776	0.495

	C1	N2	N3	H4	H5
C1		1.2219	1.2219	1.9377	1.9377
N2	1.2219		2.4355	1.0095	3.1094
N3	1.2219	2.4355		3.1094	1.0095
H4	1.9377	1.0095	3.1094		3.7579
H5	1.9377	3.1094	1.0095	3.7579

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	120.236		C1	N3	H5	120.236
N2	C1	N3	170.480

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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