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	hartrees
Energy at 0K	-148.644538
Energy at 298.15K	-148.646913
HF Energy	-148.486517
Nuclear repulsion energy	59.823189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3644	22.08
2	A	1278	1278	0.01
3	A	933	933	10.13
4	A	743	743	104.06
5	A	519	519	0.03
6	B	3644	3644	102.70
7	B	2240	2240	495.95
8	B	927	927	463.20
9	B	522	522	73.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.226	-0.082
N3	0.000	-1.226	-0.082
H4	0.626	1.763	0.504
H5	-0.626	-1.763	0.504

	C1	N2	N3	H4	H5
C1		1.2308	1.2308	1.9313	1.9313
N2	1.2308		2.4523	1.0119	3.1096
N3	1.2308	2.4523		3.1096	1.0119
H4	1.9313	1.0119	3.1096		3.7415
H5	1.9313	3.1096	1.0119	3.7415

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.568		C1	N3	H5	118.568
N2	C1	N3	170.075

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULL/6-31G**

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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