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	hartrees
Energy at 0K	-148.680430
Energy at 298.15K	-148.682848
HF Energy	-148.497983
Nuclear repulsion energy	60.095043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3639	28.05
2	A	1276	1276	0.01
3	A	925	925	11.30
4	A	739	739	93.19
5	A	547	547	0.12
6	B	3639	3639	128.06
7	B	2245	2245	505.95
8	B	917	917	442.61
9	B	558	558	83.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.018
N2	0.000	1.220	-0.080
N3	0.000	-1.220	-0.080
H4	0.623	1.760	0.505
H5	-0.623	-1.760	0.505

	C1	N2	N3	H4	H5
C1		1.2241	1.2241	1.9293	1.9293
N2	1.2241		2.4405	1.0100	3.1001
N3	1.2241	2.4405		3.1001	1.0100
H4	1.9293	1.0100	3.1001		3.7337
H5	1.9293	3.1001	1.0100	3.7337

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.122		C1	N3	H5	119.122
N2	C1	N3	170.871

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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