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	hartrees
Energy at 0K	-148.614592
Energy at 298.15K	-148.616999
HF Energy	-147.956559
Nuclear repulsion energy	60.039491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3623	3623
2	A	1262	1262
3	A	929	929
4	A	746	746
5	A	536	536
6	B	3622	3622
7	B	2202	2202
8	B	923	923
9	B	539	539

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.222	-0.081
N3	0.000	-1.222	-0.081
H4	0.626	1.751	0.511
H5	-0.626	-1.751	0.511

	C1	N2	N3	H4	H5
C1		1.2258	1.2258	1.9232	1.9232
N2	1.2258		2.4434	1.0110	3.0950
N3	1.2258	2.4434		3.0950	1.0110
H4	1.9232	1.0110	3.0950		3.7189
H5	1.9232	3.0950	1.0110	3.7189

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.271		C1	N3	H5	118.271
N2	C1	N3	170.561

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD(T)=FULL/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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