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	hartrees
Energy at 0K	-147.894914
Energy at 298.15K
HF Energy	-147.894914
Nuclear repulsion energy	60.798430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3825	3436	33.89
2	A	1390	1249	0.28
3	A	1024	920	16.96
4	A	837	752	134.79
5	A	572	514	0.62
6	B	3820	3433	154.93
7	B	2354	2115	905.96
8	B	1015	912	551.70
9	B	572	514	111.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.003
N2	0.000	1.208	-0.073
N3	0.000	-1.208	-0.073
H4	0.627	1.715	0.518
H5	-0.627	-1.715	0.518

	C1	N2	N3	H4	H5
C1		1.2100	1.2100	1.8993	1.8993
N2	1.2100		2.4160	0.9998	3.0476
N3	1.2100	2.4160		3.0476	0.9998
H4	1.8993	0.9998	3.0476		3.6527
H5	1.8993	3.0476	0.9998	3.6527

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.208		C1	N3	H5	118.208
N2	C1	N3	173.423

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.689
2	N	-0.736
3	N	-0.736
4	H	0.392
5	H	0.392

	x	y	z	Total
	0.000	0.000	2.436	2.436
CHELPG
AIM
ESP

	x	y	z
x	1.749	0.382	0.000
y	0.382	5.597	0.000
z	0.000	0.000	1.701

<r²>	38.336
(<r²>)^1/2	6.192