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	hartrees
Energy at 0K	-148.350343
Energy at 298.15K	-148.352737
HF Energy	-147.892344
Nuclear repulsion energy	59.694479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3590	3390	18.02
2	A	1282	1210	0.02
3	A	973	919	6.75
4	A	809	764	108.24
5	A	512	483	0.02
6	B	3590	3391	79.87
7	B	2237	2112	537.60
8	B	969	915	498.87
9	B	509	480	72.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.019
N2	0.000	1.229	-0.082
N3	0.000	-1.229	-0.082
H4	0.640	1.746	0.517
H5	-0.640	-1.746	0.517

	C1	N2	N3	H4	H5
C1		1.2335	1.2335	1.9248	1.9248
N2	1.2335		2.4587	1.0173	3.1016
N3	1.2335	2.4587		3.1016	1.0173
H4	1.9248	1.0173	3.1016		3.7187
H5	1.9248	3.1016	1.0173	3.7187

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.229		C1	N3	H5	117.229
N2	C1	N3	170.558

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD/6-31G*

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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