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	hartrees
Energy at 0K	-148.612708
Energy at 298.15K	-148.615118
HF Energy	-147.960338
Nuclear repulsion energy	60.127882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3617	3617
2	A	1267	1267
3	A	938	938
4	A	750	750
5	A	544	544
6	B	3612	3612
7	B	2202	2202
8	B	928	928
9	B	539	539

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.220	-0.081
N3	0.000	-1.220	-0.081
H4	0.625	1.746	0.511
H5	-0.625	-1.746	0.511

	C1	N2	N3	H4	H5
C1		1.2242	1.2242	1.9187	1.9187
N2	1.2242		2.4401	1.0092	3.0887
N3	1.2242	2.4401		3.0887	1.0092
H4	1.9187	1.0092	3.0887		3.7094
H5	1.9187	3.0887	1.0092	3.7094

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.102		C1	N3	H5	118.102
N2	C1	N3	170.526

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD(T)=FULL/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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