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	hartrees
Energy at 0K	-145.993953
Energy at 298.15K	-145.996140
HF Energy	-145.993953
Nuclear repulsion energy	58.000830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3535	3165	1.59
2	A	1238	1109	1.25
3	A	975	873	3.20
4	A	803	719	65.18
5	A	481	431	0.03
6	B	3548	3177	53.08
7	B	2274	2037	102.97
8	B	950	850	345.91
9	B	485	434	40.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.078
N2	0.000	1.256	-0.107
N3	0.000	-1.256	-0.107
H4	0.677	1.796	0.512
H5	-0.677	-1.796	0.512

	C1	N2	N3	H4	H5
C1		1.2692	1.2692	1.9675	1.9675
N2	1.2692		2.5112	1.0642	3.1862
N3	1.2692	2.5112		3.1862	1.0642
H4	1.9675	1.0642	3.1862		3.8384
H5	1.9675	3.1862	1.0642	3.8384

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	114.671		C1	N3	H5	114.671
N2	C1	N3	163.238

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: LSDA/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	0.165
2	N	-0.303
3	N	-0.303
4	H	0.220
5	H	0.220

	x	y	z	Total
	0.000	0.000	2.055	2.055
CHELPG
AIM
ESP

	x	y	z
x	0.850	0.605	0.000
y	0.605	4.358	0.000
z	0.000	0.000	0.775

<r²>	39.655
(<r²>)^1/2	6.297