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	hartrees
Energy at 0K	-148.740396
Energy at 298.15K	-148.742804
HF Energy	-148.543780
Nuclear repulsion energy	60.207586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3620	3460	25.76
2	A	1274	1217	0.00
3	A	927	886	11.34
4	A	725	693	92.10
5	A	541	517	0.28
6	B	3619	3459	136.04
7	B	2224	2125	577.98
8	B	920	880	453.04
9	B	543	519	79.05

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	0.618	1.759	0.505
H5	-0.618	-1.759	0.505

	C1	N2	N3	H4	H5
C1		1.2217	1.2217	1.9269	1.9269
N2	1.2217		2.4353	1.0086	3.0961
N3	1.2217	2.4353		3.0961	1.0086
H4	1.9269	1.0086	3.0961		3.7293
H5	1.9269	3.0961	1.0086	3.7293

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.222		C1	N3	H5	119.222
N2	C1	N3	170.707

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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