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	hartrees
Energy at 0K	-148.664735
Energy at 298.15K	-148.667142
HF Energy	-148.664735
Nuclear repulsion energy	60.322737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3492	30.17
2	A	1307	1255	0.09
3	A	912	876	9.71
4	A	734	705	105.13
5	A	542	521	0.28
6	B	3634	3490	130.91
7	B	2274	2184	619.78
8	B	913	877	425.46
9	B	545	523	85.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.215	-0.079
N3	0.000	-1.215	-0.079
H4	0.625	1.751	0.508
H5	-0.625	-1.751	0.508

	C1	N2	N3	H4	H5
C1		1.2185	1.2185	1.9236	1.9236
N2	1.2185		2.4300	1.0108	3.0873
N3	1.2185	2.4300		3.0873	1.0108
H4	1.9236	1.0108	3.0873		3.7181
H5	1.9236	3.0873	1.0108	3.7181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.990		C1	N3	H5	118.990
N2	C1	N3	171.293

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HSEh1PBE/6-311G**

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	0.444
2	N	-0.453
3	N	-0.453
4	H	0.231
5	H	0.231

	x	y	z	Total
	0.000	0.000	2.159	2.159
CHELPG
AIM
ESP

	x	y	z
x	2.028	0.331	0.000
y	0.331	5.934	0.000
z	0.000	0.000	1.999

<r²>	38.565
(<r²>)^1/2	6.210