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	hartrees
Energy at 0K	-148.440189
Energy at 298.15K	-148.442594
HF Energy	-147.923269
Nuclear repulsion energy	59.249575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3556	3556
2	A	1227	1227
3	A	970	970
4	A	762	762
5	A	515	515
6	B	3556	3556
7	B	2143	2143
8	B	964	964
9	B	520	520

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.240	-0.086
N3	0.000	-1.240	-0.086
H4	0.643	1.742	0.529
H5	-0.643	-1.742	0.529

	C1	N2	N3	H4	H5
C1		1.2446	1.2446	1.9245	1.9245
N2	1.2446		2.4796	1.0213	3.1117
N3	1.2446	2.4796		3.1117	1.0213
H4	1.9245	1.0213	3.1117		3.7141
H5	1.9245	3.1117	1.0213	3.7141

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.927		C1	N3	H5	115.927
N2	C1	N3	169.932

All results from a given calculation for HNCNH (diiminomethane)

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