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	hartrees
Energy at 0K	-146.591293
Energy at 298.15K
HF Energy	-146.513162
Nuclear repulsion energy	57.752124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3577	0.07
2	A	1208	1208	1.98
3	A	1075	1075	0.83
4	A	866	866	53.30
5	A	468	468	0.42
6	B	3590	3590	27.11
7	B	2205	2205	111.85
8	B	1029	1029	360.89
9	B	472	472	43.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.080
N2	0.000	1.264	-0.110
N3	0.000	-1.264	-0.110
H4	0.688	1.765	0.529
H5	-0.688	-1.765	0.529

	C1	N2	N3	H4	H5
C1		1.2777	1.2777	1.9464	1.9464
N2	1.2777		2.5272	1.0638	3.1703
N3	1.2777	2.5272		3.1703	1.0638
H4	1.9464	1.0638	3.1703		3.7880
H5	1.9464	3.1703	1.0638	3.7880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	112.132		C1	N3	H5	112.132
N2	C1	N3	162.939

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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