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	hartrees
Energy at 0K	-148.642724
Energy at 298.15K	-148.645143
HF Energy	-148.642724
Nuclear repulsion energy	60.301028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3490	21.00
2	A	1307	1253	0.09
3	A	930	891	11.57
4	A	747	716	117.23
5	A	546	523	0.35
6	B	3640	3489	100.93
7	B	2275	2181	617.35
8	B	933	894	467.70
9	B	548	525	86.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.016
N2	0.000	1.215	-0.078
N3	0.000	-1.215	-0.078
H4	0.621	1.761	0.502
H5	-0.621	-1.761	0.502

	C1	N2	N3	H4	H5
C1		1.2188	1.2188	1.9295	1.9295
N2	1.2188		2.4303	1.0102	3.0951
N3	1.2188	2.4303		3.0951	1.0102
H4	1.9295	1.0102	3.0951		3.7346
H5	1.9295	3.0951	1.0102	3.7346

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.622		C1	N3	H5	119.622
N2	C1	N3	171.142

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: PBE1PBE/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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	x	y	z	Total
	0.000	0.000	2.264	2.264
CHELPG
AIM
ESP

	x	y	z
x	1.968	0.321	0.000
y	0.321	5.938	0.000
z	0.000	0.000	1.936

<r²>	38.626
(<r²>)^1/2	6.215