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	hartrees
Energy at 0K	-148.511223
Energy at 298.15K	-148.513590
HF Energy	-147.946800
Nuclear repulsion energy	59.916575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3595	3437
2	A	1254	1199
3	A	904	865
4	A	770	736
5	A	513	490
6	B	3596	3438
7	B	2193	2097
8	B	894	855
9	B	512	489

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
N2	0.000	1.225	-0.083
N3	0.000	-1.225	-0.083
H4	0.635	1.737	0.517
H5	-0.635	-1.737	0.517

	C1	N2	N3	H4	H5
C1		1.2293	1.2293	1.9144	1.9144
N2	1.2293		2.4495	1.0132	3.0878
N3	1.2293	2.4495		3.0878	1.0132
H4	1.9144	1.0132	3.0878		3.6985
H5	1.9144	3.0878	1.0132	3.6985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.898		C1	N3	H5	116.898
N2	C1	N3	170.124

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD(T)=FULL/TZVP

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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