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	hartrees
Energy at 0K	-148.515108
Energy at 298.15K	-148.517545
HF Energy	-147.957213
Nuclear repulsion energy	60.196472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3436	26.19
2	A	1282	1209	0.00
3	A	952	898	8.17
4	A	771	727	88.26
5	A	543	512	0.05
6	B	3642	3435	141.50
7	B	2216	2090	729.99
8	B	946	892	461.87
9	B	545	514	82.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.219	-0.080
N3	0.000	-1.219	-0.080
H4	0.630	1.735	0.518
H5	-0.630	-1.735	0.518

	C1	N2	N3	H4	H5
C1		1.2226	1.2226	1.9133	1.9133
N2	1.2226		2.4380	1.0101	3.0789
N3	1.2226	2.4380		3.0789	1.0101
H4	1.9133	1.0101	3.0789		3.6915
H5	1.9133	3.0789	1.0101	3.6915

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.629		C1	N3	H5	117.629
N2	C1	N3	171.186

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD/6-311+G(3df,2p)

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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