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	hartrees
Energy at 0K	-148.768993
Energy at 298.15K	-148.771399
HF Energy	-148.768993
Nuclear repulsion energy	60.341781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3489	29.96
2	A	1306	1249	0.11
3	A	913	873	10.47
4	A	741	709	107.15
5	A	539	515	0.15
6	B	3646	3487	135.60
7	B	2267	2169	665.65
8	B	914	874	438.13
9	B	542	518	90.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.011
N2	0.000	1.215	-0.078
N3	0.000	-1.215	-0.078
H4	0.626	1.745	0.512
H5	-0.626	-1.745	0.512

	C1	N2	N3	H4	H5
C1		1.2182	1.2182	1.9208	1.9208
N2	1.2182		2.4301	1.0105	3.0827
N3	1.2182	2.4301		3.0827	1.0105
H4	1.9208	1.0105	3.0827		3.7085
H5	1.9208	3.0827	1.0105	3.7085

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.754		C1	N3	H5	118.754
N2	C1	N3	171.684

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.425
2	N	-0.450
3	N	-0.450
4	H	0.237
5	H	0.237

	x	y	z	Total
	0.000	0.000	2.199	2.199
CHELPG
AIM
ESP

	x	y	z
x	2.027	0.328	0.000
y	0.328	5.931	0.000
z	0.000	0.000	1.996

<r²>	38.552
(<r²>)^1/2	6.209