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	hartrees
Energy at 0K	-148.765464
Energy at 298.15K	-148.767836
HF Energy	-148.765464
Nuclear repulsion energy	60.013880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3529	3529	18.44
2	A	1254	1254	0.02
3	A	916	916	10.61
4	A	700	700	84.97
5	A	530	530	0.29
6	B	3528	3528	100.16
7	B	2181	2181	548.30
8	B	912	912	406.86
9	B	532	532	63.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.025
N2	0.000	1.221	-0.083
N3	0.000	-1.221	-0.083
H4	0.618	1.771	0.502
H5	-0.618	-1.771	0.502

	C1	N2	N3	H4	H5
C1		1.2254	1.2254	1.9355	1.9355
N2	1.2254		2.4412	1.0130	3.1104
N3	1.2254	2.4412		3.1104	1.0130
H4	1.9355	1.0130	3.1104		3.7518
H5	1.9355	3.1104	1.0130	3.7518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.390		C1	N3	H5	119.390
N2	C1	N3	169.899

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B97D3/cc-pVQZ

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	0.343
2	N	-0.378
3	N	-0.378
4	H	0.206
5	H	0.206

	x	y	z	Total
	0.000	0.000	1.914	1.914
CHELPG
AIM
ESP

	x	y	z
x	2.853	0.281	0.000
y	0.281	6.644	0.000
z	0.000	0.000	2.832

<r²>	38.973
(<r²>)^1/2	6.243