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	hartrees
Energy at 0K	-148.401918
Energy at 298.15K	-148.404306
HF Energy	-147.909627
Nuclear repulsion energy	59.284312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3561	3430
2	A	1237	1192
3	A	982	946
4	A	789	760
5	A	498	480
6	B	3563	3432
7	B	2181	2101
8	B	973	938
9	B	503	484

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.240	-0.086
N3	0.000	-1.240	-0.086
H4	0.656	1.718	0.539
H5	-0.656	-1.718	0.539

	C1	N2	N3	H4	H5
C1		1.2441	1.2441	1.9109	1.9109
N2	1.2441		2.4791	1.0243	3.0934
N3	1.2441	2.4791		3.0934	1.0243
H4	1.9109	1.0243	3.0934		3.6784
H5	1.9109	3.0934	1.0243	3.6784

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	114.445		C1	N3	H5	114.445
N2	C1	N3	170.228

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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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