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	hartrees
Energy at 0K	-148.750322
Energy at 298.15K
HF Energy	-148.550410
Nuclear repulsion energy	60.194361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3622	26.89
2	A	1273	1273	0.00
3	A	923	923	11.19
4	A	720	720	94.67
5	A	542	542	0.35
6	B	3620	3620	146.83
7	B	2214	2214	606.27
8	B	916	916	453.43
9	B	547	547	79.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.019
N2	0.000	1.218	-0.080
N3	0.000	-1.218	-0.080
H4	0.617	1.764	0.502
H5	-0.617	-1.764	0.502

	C1	N2	N3	H4	H5
C1		1.2218	1.2218	1.9298	1.9298
N2	1.2218		2.4356	1.0086	3.0998
N3	1.2218	2.4356		3.0998	1.0086
H4	1.9298	1.0086	3.0998		3.7370
H5	1.9298	3.0998	1.0086	3.7370

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.508		C1	N3	H5	119.508
N2	C1	N3	170.668

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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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