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	hartrees
Energy at 0K	-148.467817
Energy at 298.15K	-148.470229
HF Energy	-147.916928
Nuclear repulsion energy	60.136318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3468	36.49
2	A	1275	1198	0.03
3	A	892	838	10.93
4	A	734	690	99.56
5	A	552	519	0.73
6	B	3689	3468	176.22
7	B	2272	2135	494.09
8	B	884	831	454.57
9	B	571	537	122.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.017
N2	0.000	1.219	-0.079
N3	0.000	-1.219	-0.079
H4	0.620	1.764	0.500
H5	-0.620	-1.764	0.500

	C1	N2	N3	H4	H5
C1		1.2232	1.2232	1.9317	1.9317
N2	1.2232		2.4389	1.0084	3.1021
N3	1.2232	2.4389		3.1021	1.0084
H4	1.9317	1.0084	3.1021		3.7404
H5	1.9317	3.1021	1.0084	3.7404

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.598		C1	N3	H5	119.598
N2	C1	N3	171.054

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=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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