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	hartrees
Energy at 0K	-148.654720
Energy at 298.15K	-148.657081
HF Energy	-148.494386
Nuclear repulsion energy	59.779602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3467	25.49
2	A	1273	1211	0.02
3	A	898	854	8.30
4	A	726	690	115.56
5	A	529	503	0.16
6	B	3645	3466	146.91
7	B	2215	2106	640.82
8	B	892	849	476.48
9	B	523	497	77.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.030
N2	0.000	1.226	-0.084
N3	0.000	-1.226	-0.084
H4	0.617	1.780	0.497
H5	-0.617	-1.780	0.497

	C1	N2	N3	H4	H5
C1		1.2313	1.2313	1.9406	1.9406
N2	1.2313		2.4521	1.0120	3.1230
N3	1.2313	2.4521		3.1230	1.0120
H4	1.9406	1.0120	3.1230		3.7674
H5	1.9406	3.1230	1.0120	3.7674

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.458		C1	N3	H5	119.458
N2	C1	N3	169.381

All results from a given calculation for HNCNH (diiminomethane)

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

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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