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	hartrees
Energy at 0K	-146.853245
Energy at 298.15K	-146.855471
HF Energy	-146.853245
Nuclear repulsion energy	57.682038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3480	3480	0.04
2	A	1213	1213	1.53
3	A	1096	1096	0.22
4	A	868	868	51.51
5	A	466	466	0.42
6	B	3492	3492	17.51
7	B	2200	2200	116.78
8	B	1045	1045	319.99
9	B	468	468	38.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.080
N2	0.000	1.264	-0.111
N3	0.000	-1.264	-0.111
H4	0.697	1.754	0.538
H5	-0.697	-1.754	0.538

	C1	N2	N3	H4	H5
C1		1.2788	1.2788	1.9421	1.9421
N2	1.2788		2.5290	1.0709	3.1650
N3	1.2788	2.5290		3.1650	1.0709
H4	1.9421	1.0709	3.1650		3.7744
H5	1.9421	3.1650	1.0709	3.7744

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	111.181		C1	N3	H5	111.181
N2	C1	N3	162.854

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: TPSSh/STO-3G

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	0.186
2	N	-0.288
3	N	-0.288
4	H	0.195
5	H	0.195

	x	y	z	Total
	0.000	0.000	2.032	2.032
CHELPG
AIM
ESP

	x	y	z
x	0.934	0.692	0.000
y	0.692	4.426	0.000
z	0.000	0.000	0.844

<r²>	40.057
(<r²>)^1/2	6.329