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	hartrees
Energy at 0K	-148.527681
Energy at 298.15K	-148.530117
HF Energy	-147.960548
Nuclear repulsion energy	60.162805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3625	24.21
2	A	1279	1279	0.01
3	A	963	963	8.22
4	A	771	771	85.22
5	A	544	544	0.05
6	B	3623	3623	139.61
7	B	2208	2208	724.29
8	B	956	956	457.94
9	B	546	546	78.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.220	-0.080
N3	0.000	-1.220	-0.080
H4	0.632	1.730	0.520
H5	-0.632	-1.730	0.520

	C1	N2	N3	H4	H5
C1		1.2237	1.2237	1.9104	1.9104
N2	1.2237		2.4401	1.0100	3.0765
N3	1.2237	2.4401		3.0765	1.0100
H4	1.9104	1.0100	3.0765		3.6842
H5	1.9104	3.0765	1.0100	3.6842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.259		C1	N3	H5	117.259
N2	C1	N3	171.177

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD/daug-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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