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	hartrees
Energy at 0K	-148.575650
Energy at 298.15K	-148.578107
HF Energy	-147.964600
Nuclear repulsion energy	60.461644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3669	3669	27.98
2	A	1309	1309	0.00
3	A	962	962	7.97
4	A	787	787	91.46
5	A	551	551	0.03
6	B	3666	3666	146.52
7	B	2247	2247	734.71
8	B	953	953	456.65
9	B	555	555	91.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.009
N2	0.000	1.214	-0.078
N3	0.000	-1.214	-0.078
H4	0.629	1.720	0.521
H5	-0.629	-1.720	0.521

	C1	N2	N3	H4	H5
C1		1.2174	1.2174	1.9018	1.9018
N2	1.2174		2.4284	1.0058	3.0603
N3	1.2174	2.4284		3.0603	1.0058
H4	1.9018	1.0058	3.0603		3.6630
H5	1.9018	3.0603	1.0058	3.6630

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.299		C1	N3	H5	117.299
N2	C1	N3	171.750

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/Def2TZVPP

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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