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	hartrees
Energy at 0K	-148.687335
Energy at 298.15K	-148.689531
HF Energy	-148.687335
Nuclear repulsion energy	59.584193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3778	18.95
2	A	1300	1300	0.00
3	A	698	698	11.43
4	A	638	638	231.43
5	A	535	535	2.60
6	B	3778	3778	280.97
7	B	2294	2294	726.34
8	B	696	696	640.06
9	B	545	545	118.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.033
N2	0.000	1.226	-0.072
N3	0.000	-1.226	-0.072
H4	0.538	1.931	0.406
H5	-0.538	-1.931	0.406

	C1	N2	N3	H4	H5
C1		1.2306	1.2306	2.0391	2.0391
N2	1.2306		2.4521	1.0075	3.2382
N3	1.2306	2.4521		3.2382	1.0075
H4	2.0391	1.0075	3.2382		4.0095
H5	2.0391	3.2382	1.0075	4.0095

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	131.046		C1	N3	H5	131.046
N2	C1	N3	170.172

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: wB97X-D/LANL2DZ

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	0.156
2	N	-0.403
3	N	-0.403
4	H	0.324
5	H	0.324

	x	y	z	Total
	0.000	0.000	2.368	2.368
CHELPG
AIM
ESP

	x	y	z
x	1.677	0.169	0.000
y	0.169	6.523	0.000
z	0.000	0.000	1.655

<r²>	39.711
(<r²>)^1/2	6.302