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	hartrees
Energy at 0K	-148.453886
Energy at 298.15K	-148.456330
HF Energy	-147.916878
Nuclear repulsion energy	60.054596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3658	3466	27.83
2	A	1278	1211	0.00
3	A	960	909	9.34
4	A	785	744	92.43
5	A	545	516	0.00
6	B	3658	3465	117.69
7	B	2240	2122	547.41
8	B	951	901	452.26
9	B	549	520	82.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.223	-0.080
N3	0.000	-1.223	-0.080
H4	0.635	1.734	0.518
H5	-0.635	-1.734	0.518

	C1	N2	N3	H4	H5
C1		1.2261	1.2261	1.9138	1.9138
N2	1.2261		2.4450	1.0107	3.0821
N3	1.2261	2.4450		3.0821	1.0107
H4	1.9138	1.0107	3.0821		3.6926
H5	1.9138	3.0821	1.0107	3.6926

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.332		C1	N3	H5	117.332
N2	C1	N3	171.230

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/6-31G(2df,p)

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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