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	hartrees
Energy at 0K	-148.816182
Energy at 298.15K	-148.818542
HF Energy	-148.816182
Nuclear repulsion energy	59.753464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3483	3471	17.78
2	A	1238	1234	0.02
3	A	908	905	11.66
4	A	694	691	83.19
5	A	524	522	0.42
6	B	3481	3469	105.68
7	B	2144	2136	587.89
8	B	905	902	418.29
9	B	528	526	58.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.028
N2	0.000	1.225	-0.083
N3	0.000	-1.225	-0.083
H4	0.616	1.789	0.498
H5	-0.616	-1.789	0.498

	C1	N2	N3	H4	H5
C1		1.2302	1.2302	1.9501	1.9501
N2	1.2302		2.4503	1.0180	3.1315
N3	1.2302	2.4503		3.1315	1.0180
H4	1.9501	1.0180	3.1315		3.7853
H5	1.9501	3.1315	1.0180	3.7853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	120.020		C1	N3	H5	120.020
N2	C1	N3	169.602

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.212
3	N	-0.212
4	H	0.129
5	H	0.129

	x	y	z	Total
	0.000	0.000	1.881	1.881
CHELPG
AIM
ESP

	x	y	z
x	3.316	0.272	0.000
y	0.272	7.215	0.000
z	0.000	0.000	3.288

<r²>	39.527
(<r²>)^1/2	6.287