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	hartrees
Energy at 0K	-147.913745
Energy at 298.15K	-147.916291
HF Energy	-147.913745
Nuclear repulsion energy	60.698638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3441	39.20
2	A	1380	1253	0.27
3	A	1057	960	12.22
4	A	834	758	108.18
5	A	577	524	0.70
6	B	3785	3437	153.93
7	B	2343	2127	898.14
8	B	1048	952	443.31
9	B	580	527	95.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.009
N2	0.000	1.211	0.074
N3	0.000	-1.211	0.074
H4	-0.643	1.681	-0.542
H5	0.643	-1.681	-0.542

	C1	N2	N3	H4	H5
C1		1.2125	1.2125	1.8822	1.8822
N2	1.2125		2.4215	1.0065	3.0258
N3	1.2125	2.4215		3.0258	1.0065
H4	1.8822	1.0065	3.0258		3.5999
H5	1.8822	3.0258	1.0065	3.5999

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.731		C1	N3	H5	115.731
N2	C1	N3	173.873

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HF/cc-pVDZ

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	0.306
2	N	-0.309
3	N	-0.309
4	H	0.156
5	H	0.156

	x	y	z	Total
	0.000	0.000	-2.280	2.280
CHELPG
AIM
ESP

	x	y	z
x	1.882	-0.383	0.000
y	-0.383	5.430	0.000
z	0.000	0.000	1.837

<r²>	38.260
(<r²>)^1/2	6.185