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	hartrees
Energy at 0K	-147.374428
Energy at 298.15K	-147.376761
HF Energy	-147.051622
Nuclear repulsion energy	59.451490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3518	3381	12.01
2	A	1251	1202	0.40
3	A	888	853	13.71
4	A	783	753	130.06
5	A	497	478	1.13
6	B	3521	3384	83.29
7	B	2220	2134	358.46
8	B	882	847	682.99
9	B	500	481	67.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.029
N2	0.000	1.230	-0.078
N3	0.000	-1.230	-0.078
H4	0.599	1.854	0.462
H5	-0.599	-1.854	0.462

	C1	N2	N3	H4	H5
C1		1.2346	1.2346	1.9956	1.9956
N2	1.2346		2.4599	1.0198	3.1874
N3	1.2346	2.4599		3.1874	1.0198
H4	1.9956	1.0198	3.1874		3.8959
H5	1.9956	3.1874	1.0198	3.8959

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	124.272		C1	N3	H5	124.272
N2	C1	N3	170.009

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/3-21G*

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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