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	hartrees
Energy at 0K	-148.738029
Energy at 298.15K	-148.740440
HF Energy	-148.738029
Nuclear repulsion energy	59.959041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3614	3442	29.67
2	A	1300	1238	0.07
3	A	952	907	8.37
4	A	756	720	90.75
5	A	526	501	0.03
6	B	3612	3441	115.19
7	B	2260	2153	603.85
8	B	950	905	393.51
9	B	530	505	73.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.012
N2	0.000	1.224	-0.081
N3	0.000	-1.224	-0.081
H4	0.642	1.727	0.529
H5	-0.642	-1.727	0.529

	C1	N2	N3	H4	H5
C1		1.2271	1.2271	1.9138	1.9138
N2	1.2271		2.4472	1.0187	3.0806
N3	1.2271	2.4472		3.0806	1.0187
H4	1.9138	1.0187	3.0806		3.6849
H5	1.9138	3.0806	1.0187	3.6849

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.585		C1	N3	H5	116.585
N2	C1	N3	171.356

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.228
3	N	-0.228
4	H	0.150
5	H	0.150

	x	y	z	Total
	0.000	0.000	2.116	2.116
CHELPG
AIM
ESP

	x	y	z
x	1.940	0.394	0.000
y	0.394	5.740	0.000
z	0.000	0.000	1.904

<r²>	38.695
(<r²>)^1/2	6.221